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
5
Annotation Hits

37
References

4789
Patents

119.02186 Da
Monoisotopic Mass

-3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.02914 120.5
[M+Na]+ 142.01108 127.0
[M-H]- 118.01458 118.0
[M+NH4]+ 137.05568 140.5
[M+K]+ 157.98502 127.4
[M+H-H2O]+ 102.01912 116.1
[M+HCOO]- 164.02006 140.9
[M+CH3COO]- 178.03571 166.2
[M+Na-2H]- 139.99653 123.3
[M]+ 119.02131 117.3
[M]- 119.02241 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.