CID 262699

2-(methylaminomethyl)tartronic acid

Structural Information

Molecular Formula
C5H9NO5
SMILES
CNCC(C(=O)O)(C(=O)O)O
InChI
InChI=1S/C5H9NO5/c1-6-2-5(11,3(7)8)4(9)10/h6,11H,2H2,1H3,(H,7,8)(H,9,10)
InChIKey
DNUCTNFNQRJOIX-UHFFFAOYSA-N
Compound name
2-hydroxy-2-(methylaminomethyl)propanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

163.04807 Da
Monoisotopic Mass

-4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.05535 131.2
[M+Na]+ 186.03729 136.9
[M-H]- 162.04079 127.5
[M+NH4]+ 181.08189 149.0
[M+K]+ 202.01123 136.7
[M+H-H2O]+ 146.04533 127.0
[M+HCOO]- 208.04627 149.7
[M+CH3COO]- 222.06192 172.0
[M+Na-2H]- 184.02274 135.8
[M]+ 163.04752 129.5
[M]- 163.04862 129.5
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