CID 575087

3,3-dimethylcyclopentanecarboxylic acid

Structural Information

Molecular Formula
C8H14O2
SMILES
CC1(CCC(C1)C(=O)O)C
InChI
InChI=1S/C8H14O2/c1-8(2)4-3-6(5-8)7(9)10/h6H,3-5H2,1-2H3,(H,9,10)
InChIKey
NZJLOXPRWMDELI-UHFFFAOYSA-N
Compound name
3,3-dimethylcyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
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 131.5
[M+Na]+ 165.08860 140.5
[M+NH4]+ 160.13320 141.0
[M+K]+ 181.06254 135.8
[M-H]- 141.09210 131.6
[M+Na-2H]- 163.07405 136.1
[M]+ 142.09883 132.6
[M]- 142.09993 132.6
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

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