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

2
Patents

156.11504 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.122316 135.0
[M+Na]+ 179.104258 141.7
[M-H]- 155.107764 137.1
[M+NH4]+ 174.148863 159.1
[M+K]+ 195.078198 140.5
[M+H-H2O]+ 139.112300 131.3
[M+HCOO]- 201.113241 155.5
[M+CH3COO]- 215.128891 174.2
[M+Na-2H]- 177.089706 137.8
[M]+ 156.11449142 133.0
[M]- 156.11558858 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

patents stripe