CID 56842447

Einecs 287-568-5

Structural Information

Molecular Formula
C20H26O4
SMILES
CCC(C1=CC2=C(C=C1)C=C(C=C2)OC)(C(C)(C)C(=O)OCC)O
InChI
InChI=1S/C20H26O4/c1-6-20(22,19(3,4)18(21)24-7-2)16-10-8-15-13-17(23-5)11-9-14(15)12-16/h8-13,22H,6-7H2,1-5H3
InChIKey
BGPCDCAZLBBOTJ-UHFFFAOYSA-N
Compound name
ethyl 3-hydroxy-3-(6-methoxynaphthalen-2-yl)-2,2-dimethylpentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.1831 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.190376 180.5
[M+Na]+ 353.172318 186.5
[M-H]- 329.175824 183.3
[M+NH4]+ 348.216923 195.1
[M+K]+ 369.146258 183.9
[M+H-H2O]+ 313.180360 174.3
[M+HCOO]- 375.181301 196.5
[M+CH3COO]- 389.196951 210.0
[M+Na-2H]- 351.157766 185.1
[M]+ 330.18255142 185.4
[M]- 330.18364858 185.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.