CID 22670946

1-ethylcyclopentane-1-carboxylic acid

Structural Information

Molecular Formula
C8H14O2
SMILES
CCC1(CCCC1)C(=O)O
InChI
InChI=1S/C8H14O2/c1-2-8(7(9)10)5-3-4-6-8/h2-6H2,1H3,(H,9,10)
InChIKey
CUMLHEATBNFNNU-UHFFFAOYSA-N
Compound name
1-ethylcyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

136
Patents

142.09938 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.10666 131.8
[M+Na]+ 165.08860 138.0
[M-H]- 141.09210 133.7
[M+NH4]+ 160.13320 156.1
[M+K]+ 181.06254 137.0
[M+H-H2O]+ 125.09664 127.9
[M+HCOO]- 187.09758 152.6
[M+CH3COO]- 201.11323 170.0
[M+Na-2H]- 163.07405 135.7
[M]+ 142.09883 129.1
[M]- 142.09993 129.1
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