CID 13806054

2-(cyclohexylmethyl)butanoic acid

Structural Information

Molecular Formula
C11H20O2
SMILES
CCC(CC1CCCCC1)C(=O)O
InChI
InChI=1S/C11H20O2/c1-2-10(11(12)13)8-9-6-4-3-5-7-9/h9-10H,2-8H2,1H3,(H,12,13)
InChIKey
GDZWTZDSOFTWKE-UHFFFAOYSA-N
Compound name
2-(cyclohexylmethyl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
Patents

184.14633 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.15361 145.1
[M+Na]+ 207.13555 147.9
[M-H]- 183.13905 145.9
[M+NH4]+ 202.18015 163.8
[M+K]+ 223.10949 146.6
[M+H-H2O]+ 167.14359 139.5
[M+HCOO]- 229.14453 161.8
[M+CH3COO]- 243.16018 180.7
[M+Na-2H]- 205.12100 146.2
[M]+ 184.14578 140.4
[M]- 184.14688 140.4
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