CID 14713045

3-cyclohexyl-2-methylacrylic acid

Structural Information

Molecular Formula
C10H16O2
SMILES
C/C(=C\C1CCCCC1)/C(=O)O
InChI
InChI=1S/C10H16O2/c1-8(10(11)12)7-9-5-3-2-4-6-9/h7,9H,2-6H2,1H3,(H,11,12)/b8-7+
InChIKey
MEKATFFSLMQMRX-BQYQJAHWSA-N
Compound name
(E)-3-cyclohexyl-2-methylprop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.11504 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.12232 139.3
[M+Na]+ 191.10426 142.8
[M-H]- 167.10776 140.3
[M+NH4]+ 186.14886 158.5
[M+K]+ 207.07820 141.2
[M+H-H2O]+ 151.11230 133.9
[M+HCOO]- 213.11324 156.4
[M+CH3COO]- 227.12889 176.1
[M+Na-2H]- 189.08971 140.9
[M]+ 168.11449 133.4
[M]- 168.11559 133.4
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