CID 79006779

2-(2,2-dimethylcyclopentyl)acetic acid

Structural Information

Molecular Formula
C9H16O2
SMILES
CC1(CCCC1CC(=O)O)C
InChI
InChI=1S/C9H16O2/c1-9(2)5-3-4-7(9)6-8(10)11/h7H,3-6H2,1-2H3,(H,10,11)
InChIKey
IAXZESAIRXYMDM-UHFFFAOYSA-N
Compound name
2-(2,2-dimethylcyclopentyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.11504 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.12232 135.0
[M+Na]+ 179.10426 141.7
[M-H]- 155.10776 137.1
[M+NH4]+ 174.14886 159.1
[M+K]+ 195.07820 140.5
[M+H-H2O]+ 139.11230 131.3
[M+HCOO]- 201.11324 155.5
[M+CH3COO]- 215.12889 174.2
[M+Na-2H]- 177.08971 137.8
[M]+ 156.11449 133.0
[M]- 156.11559 133.0
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

No patent data available for this compound.