CID 73988

1322-94-7

Structural Information

Molecular Formula
C16H20O4
SMILES
CC1(CCC(CC1)OC(=O)C2=CC=CC=C2C(=O)O)C
InChI
InChI=1S/C16H20O4/c1-16(2)9-7-11(8-10-16)20-15(19)13-6-4-3-5-12(13)14(17)18/h3-6,11H,7-10H2,1-2H3,(H,17,18)
InChIKey
GPIZVEQCOQOIPD-UHFFFAOYSA-N
Compound name
2-(4,4-dimethylcyclohexyl)oxycarbonylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

44
Patents

276.13617 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.14345 164.2
[M+Na]+ 299.12539 174.8
[M+NH4]+ 294.16999 172.4
[M+K]+ 315.09933 167.9
[M-H]- 275.12889 166.4
[M+Na-2H]- 297.11084 170.6
[M]+ 276.13562 166.3
[M]- 276.13672 166.3
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