CID 5288980

2-iminiopropanoate

Structural Information

Molecular Formula
C3H5NO2
SMILES
CC(=N)C(=O)O
InChI
InChI=1S/C3H5NO2/c1-2(4)3(5)6/h4H,1H3,(H,5,6)
InChIKey
DUAWRLXHCUAWMK-UHFFFAOYSA-N
Compound name
2-iminopropanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

210
References

3396
Patents

87.03203 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 88.039306 113.7
[M+Na]+ 110.02125 121.0
[M-H]- 86.024754 113.2
[M+NH4]+ 105.06585 136.3
[M+K]+ 125.99519 121.2
[M+H-H2O]+ 70.029290 109.7
[M+HCOO]- 132.03023 136.9
[M+CH3COO]- 146.04588 164.0
[M+Na-2H]- 108.00670 119.5
[M]+ 87.031481 111.3
[M]- 87.032579 111.3
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