CID 13033428

3-cyclohexyl-2-methylpropanoic acid

Structural Information

Molecular Formula
C10H18O2
SMILES
CC(CC1CCCCC1)C(=O)O
InChI
InChI=1S/C10H18O2/c1-8(10(11)12)7-9-5-3-2-4-6-9/h8-9H,2-7H2,1H3,(H,11,12)
InChIKey
SAOPJNFYPNUPSE-UHFFFAOYSA-N
Compound name
3-cyclohexyl-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

145
Patents

170.13068 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.13796 140.5
[M+Na]+ 193.11990 143.7
[M-H]- 169.12340 141.5
[M+NH4]+ 188.16450 159.7
[M+K]+ 209.09384 142.7
[M+H-H2O]+ 153.12794 135.1
[M+HCOO]- 215.12888 157.5
[M+CH3COO]- 229.14453 177.7
[M+Na-2H]- 191.10535 142.2
[M]+ 170.13013 135.5
[M]- 170.13123 135.5
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