CID 54069063

74650-11-6

Structural Information

Molecular Formula
C5H5NO2
SMILES
C1[C@@H]([C@@H]1C(=O)O)C#N
InChI
InChI=1S/C5H5NO2/c6-2-3-1-4(3)5(7)8/h3-4H,1H2,(H,7,8)/t3-,4-/m1/s1
InChIKey
MFCBCXRMDAOFOT-QWWZWVQMSA-N
Compound name
(1R,2S)-2-cyanocyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

115
Patents

111.03203 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.03931 121.9
[M+Na]+ 134.02125 132.9
[M+NH4]+ 129.06585 126.9
[M+K]+ 149.99519 127.5
[M-H]- 110.02475 121.3
[M+Na-2H]- 132.00670 126.4
[M]+ 111.03148 123.3
[M]- 111.03258 123.3
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