CID 100714

Aminomalonic acid

Structural Information

Molecular Formula
C3H5NO4
SMILES
C(C(=O)O)(C(=O)O)N
InChI
InChI=1S/C3H5NO4/c4-1(2(5)6)3(7)8/h1H,4H2,(H,5,6)(H,7,8)
InChIKey
JINBYESILADKFW-UHFFFAOYSA-N
Compound name
2-aminopropanedioic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

37
References

4861
Patents

119.02186 Da
Monoisotopic Mass

-3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.029136 120.5
[M+Na]+ 142.011078 127.0
[M-H]- 118.014584 118.0
[M+NH4]+ 137.055683 140.5
[M+K]+ 157.985018 127.4
[M+H-H2O]+ 102.019120 116.1
[M+HCOO]- 164.020061 140.9
[M+CH3COO]- 178.035711 166.2
[M+Na-2H]- 139.996526 123.3
[M]+ 119.02131142 117.3
[M]- 119.02240858 117.3
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