CID 66818138

3,4-dimethylcyclopentane-1-carboxylic acid

Structural Information

Molecular Formula
C8H14O2
SMILES
CC1CC(CC1C)C(=O)O
InChI
InChI=1S/C8H14O2/c1-5-3-7(8(9)10)4-6(5)2/h5-7H,3-4H2,1-2H3,(H,9,10)
InChIKey
AWUJWNFFCVYTTM-UHFFFAOYSA-N
Compound name
3,4-dimethylcyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

142.09938 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.10666 130.6
[M+Na]+ 165.08860 137.7
[M-H]- 141.09210 132.9
[M+NH4]+ 160.13320 153.5
[M+K]+ 181.06254 136.6
[M+H-H2O]+ 125.09664 126.3
[M+HCOO]- 187.09758 151.3
[M+CH3COO]- 201.11323 172.8
[M+Na-2H]- 163.07405 132.0
[M]+ 142.09883 128.3
[M]- 142.09993 128.3
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