CID 381256

Dihydroperillic acid

Structural Information

Molecular Formula
C10H16O2
SMILES
CC(=C)C1CCC(CC1)C(=O)O
InChI
InChI=1S/C10H16O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h8-9H,1,3-6H2,2H3,(H,11,12)
InChIKey
XZOBEDLKVOHSSH-UHFFFAOYSA-N
Compound name
4-prop-1-en-2-ylcyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

6
Patents

168.11504 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.12232 138.8
[M+Na]+ 191.10426 148.1
[M+NH4]+ 186.14886 146.5
[M+K]+ 207.07820 143.4
[M-H]- 167.10776 139.3
[M+Na-2H]- 189.08971 141.9
[M]+ 168.11449 139.9
[M]- 168.11559 139.9
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

patents stripe