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

78
Patents

142.09938 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.106656 131.6
[M+Na]+ 165.088598 137.8
[M-H]- 141.092104 133.5
[M+NH4]+ 160.133203 154.2
[M+K]+ 181.062538 136.7
[M+H-H2O]+ 125.096640 127.0
[M+HCOO]- 187.097581 152.4
[M+CH3COO]- 201.113231 171.6
[M+Na-2H]- 163.074046 133.7
[M]+ 142.09883142 128.9
[M]- 142.09992858 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