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]+ 154.086256 133.5
[M+Na]+ 176.068198 142.1
[M-H]- 152.071704 135.5
[M+NH4]+ 171.112803 153.4
[M+K]+ 192.042138 139.6
[M+H-H2O]+ 136.076240 122.1
[M+HCOO]- 198.077181 151.1
[M+CH3COO]- 212.092831 185.9
[M+Na-2H]- 174.053646 135.8
[M]+ 153.07843142 126.2
[M]- 153.07952858 126.2
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.