CID 362012

2-[6-methyl-6-[2-(1,1,3,6-tetramethyl-4a,7,8,8a-tetrahydro-4h-naphthalen-2-yl)ethyl]dioxan-3-yl]propanoic acid

Structural Information

Molecular Formula
C24H38O4
SMILES
CC1=CC2CC(=C(C(C2CC1)(C)C)CCC3(CCC(OO3)C(C)C(=O)O)C)C
InChI
InChI=1S/C24H38O4/c1-15-7-8-20-18(13-15)14-16(2)19(23(20,4)5)9-11-24(6)12-10-21(27-28-24)17(3)22(25)26/h13,17-18,20-21H,7-12,14H2,1-6H3,(H,25,26)
InChIKey
BGJFOTULBGQTPJ-UHFFFAOYSA-N
Compound name
2-[6-methyl-6-[2-(1,1,3,6-tetramethyl-4a,7,8,8a-tetrahydro-4H-naphthalen-2-yl)ethyl]dioxan-3-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

390.277 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.28428 197.2
[M+Na]+ 413.26622 200.7
[M-H]- 389.26972 203.0
[M+NH4]+ 408.31082 210.4
[M+K]+ 429.24016 200.0
[M+H-H2O]+ 373.27426 190.4
[M+HCOO]- 435.27520 204.6
[M+CH3COO]- 449.29085 224.3
[M+Na-2H]- 411.25167 195.3
[M]+ 390.27645 195.9
[M]- 390.27755 195.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.