CID 12892605

1,2-dimethylcyclopentane-1-carboxylic acid

Structural Information

Molecular Formula
C8H14O2
SMILES
CC1CCCC1(C)C(=O)O
InChI
InChI=1S/C8H14O2/c1-6-4-3-5-8(6,2)7(9)10/h6H,3-5H2,1-2H3,(H,9,10)
InChIKey
JXMSFZKDBXONOL-UHFFFAOYSA-N
Compound name
1,2-dimethylcyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

142.09938 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.106656 130.4
[M+Na]+ 165.088598 137.5
[M-H]- 141.092104 132.7
[M+NH4]+ 160.133203 155.1
[M+K]+ 181.062538 136.5
[M+H-H2O]+ 125.096640 126.9
[M+HCOO]- 187.097581 151.2
[M+CH3COO]- 201.113231 171.2
[M+Na-2H]- 163.074046 133.8
[M]+ 142.09883142 128.0
[M]- 142.09992858 128.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe