CID 2733259

1-cyanocyclopropanecarboxylic acid

Structural Information

Molecular Formula
C5H5NO2
SMILES
C1CC1(C#N)C(=O)O
InChI
InChI=1S/C5H5NO2/c6-3-5(1-2-5)4(7)8/h1-2H2,(H,7,8)
InChIKey
KSJJMSKNZVXAND-UHFFFAOYSA-N
Compound name
1-cyanocyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

1495
Patents

111.03203 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.03931 119.1
[M+Na]+ 134.02125 135.0
[M-H]- 110.02475 125.1
[M+NH4]+ 129.06585 138.2
[M+K]+ 149.99519 130.6
[M+H-H2O]+ 94.029290 111.7
[M+HCOO]- 156.03023 140.0
[M+CH3COO]- 170.04588 181.9
[M+Na-2H]- 132.00670 128.2
[M]+ 111.03148 118.3
[M]- 111.03258 118.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe