CID 15806821

Methyliminoacetic acid

Structural Information

Molecular Formula
C3H5NO2
SMILES
CN=CC(=O)O
InChI
InChI=1S/C3H5NO2/c1-4-2-3(5)6/h2H,1H3,(H,5,6)
InChIKey
SEXCGGHGAGDKHP-UHFFFAOYSA-N
Compound name
2-methyliminoacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

106
Patents

87.03203 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 88.039306 112.6
[M+Na]+ 110.021248 120.6
[M-H]- 86.024754 113.5
[M+NH4]+ 105.065853 136.1
[M+K]+ 125.995188 121.3
[M+H-H2O]+ 70.029290 108.3
[M+HCOO]- 132.030231 138.3
[M+CH3COO]- 146.045881 165.0
[M+Na-2H]- 108.006696 120.3
[M]+ 87.03148142 112.7
[M]- 87.03257858 112.7
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