CID 14883540

2-cyano-2-cyclopentylacetic acid

Structural Information

Molecular Formula
C8H11NO2
SMILES
C1CCC(C1)C(C#N)C(=O)O
InChI
InChI=1S/C8H11NO2/c9-5-7(8(10)11)6-3-1-2-4-6/h6-7H,1-4H2,(H,10,11)
InChIKey
XQUKCEFUAOBICP-UHFFFAOYSA-N
Compound name
2-cyano-2-cyclopentylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

153.07898 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.08626 135.0
[M+Na]+ 176.06820 142.8
[M+NH4]+ 171.11280 139.1
[M+K]+ 192.04214 137.3
[M-H]- 152.07170 127.5
[M+Na-2H]- 174.05365 135.5
[M]+ 153.07843 132.8
[M]- 153.07953 132.8
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