CID 14048267

2-ethylcyclohexane-1-carboxylic acid

Structural Information

Molecular Formula
C9H16O2
SMILES
CCC1CCCCC1C(=O)O
InChI
InChI=1S/C9H16O2/c1-2-7-5-3-4-6-8(7)9(10)11/h7-8H,2-6H2,1H3,(H,10,11)
InChIKey
BYSURPXRUHUJMH-UHFFFAOYSA-N
Compound name
2-ethylcyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

99
Patents

156.11504 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.122316 135.0
[M+Na]+ 179.104258 139.8
[M-H]- 155.107764 136.5
[M+NH4]+ 174.148863 155.2
[M+K]+ 195.078198 138.6
[M+H-H2O]+ 139.112300 129.9
[M+HCOO]- 201.113241 153.3
[M+CH3COO]- 215.128891 174.9
[M+Na-2H]- 177.089706 137.8
[M]+ 156.11449142 130.6
[M]- 156.11558858 130.6
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