CID 82416968

2-(3-cyanocyclopentyl)acetic acid

Structural Information

Molecular Formula
C8H11NO2
SMILES
C1CC(CC1CC(=O)O)C#N
InChI
InChI=1S/C8H11NO2/c9-5-7-2-1-6(3-7)4-8(10)11/h6-7H,1-4H2,(H,10,11)
InChIKey
HHTWDCOTFGRATD-UHFFFAOYSA-N
Compound name
2-(3-cyanocyclopentyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

153.07898 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.08626 133.7
[M+Na]+ 176.06820 142.1
[M+NH4]+ 171.11280 137.9
[M+K]+ 192.04214 136.1
[M-H]- 152.07170 126.5
[M+Na-2H]- 174.05365 134.4
[M]+ 153.07843 131.7
[M]- 153.07953 131.7
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.