CID 226702

5-methoxy-1,1,4,4,7-pentamethyl-1,2,3,4-tetrahydronaphthalene

Structural Information

Molecular Formula
C16H24O
SMILES
CC1=CC2=C(C(=C1)OC)C(CCC2(C)C)(C)C
InChI
InChI=1S/C16H24O/c1-11-9-12-14(13(10-11)17-6)16(4,5)8-7-15(12,2)3/h9-10H,7-8H2,1-6H3
InChIKey
ZHZCSOFYUGAJBH-UHFFFAOYSA-N
Compound name
5-methoxy-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

232.18271 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.189986 151.7
[M+Na]+ 255.171928 161.3
[M-H]- 231.175434 157.0
[M+NH4]+ 250.216533 175.9
[M+K]+ 271.145868 158.5
[M+H-H2O]+ 215.179970 146.9
[M+HCOO]- 277.180911 171.2
[M+CH3COO]- 291.196561 196.4
[M+Na-2H]- 253.157376 157.2
[M]+ 232.18216142 153.7
[M]- 232.18325858 153.7
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

patents stripe