CID 14381283

2-ethylcyclopentane-1-carboxylic acid

Structural Information

Molecular Formula
C8H14O2
SMILES
CCC1CCCC1C(=O)O
InChI
InChI=1S/C8H14O2/c1-2-6-4-3-5-7(6)8(9)10/h6-7H,2-5H2,1H3,(H,9,10)
InChIKey
GOKBOUQBQXABPQ-UHFFFAOYSA-N
Compound name
2-ethylcyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

72
Patents

142.09938 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.10666 131.6
[M+Na]+ 165.08860 137.8
[M-H]- 141.09210 133.5
[M+NH4]+ 160.13320 154.2
[M+K]+ 181.06254 136.7
[M+H-H2O]+ 125.09664 127.0
[M+HCOO]- 187.09758 152.4
[M+CH3COO]- 201.11323 171.6
[M+Na-2H]- 163.07405 133.7
[M]+ 142.09883 128.9
[M]- 142.09993 128.9
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