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]+ 154.086256 135.7
[M+Na]+ 176.068198 143.2
[M-H]- 152.071704 137.4
[M+NH4]+ 171.112803 155.2
[M+K]+ 192.042138 141.0
[M+H-H2O]+ 136.076240 123.9
[M+HCOO]- 198.077181 152.3
[M+CH3COO]- 212.092831 185.7
[M+Na-2H]- 174.053646 137.3
[M]+ 153.07843142 127.4
[M]- 153.07952858 127.4
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