CID 20441

N-methyliminodiacetic acid

Structural Information

Molecular Formula
C5H9NO4
SMILES
CN(CC(=O)O)CC(=O)O
InChI
InChI=1S/C5H9NO4/c1-6(2-4(7)8)3-5(9)10/h2-3H2,1H3,(H,7,8)(H,9,10)
InChIKey
XWSGEVNYFYKXCP-UHFFFAOYSA-N
Compound name
2-[carboxymethyl(methyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

30
References

12106
Patents

147.05316 Da
Monoisotopic Mass

-3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.06044 128.4
[M+Na]+ 170.04238 134.5
[M-H]- 146.04588 127.5
[M+NH4]+ 165.08698 148.4
[M+K]+ 186.01632 135.6
[M+H-H2O]+ 130.05042 123.5
[M+HCOO]- 192.05136 150.4
[M+CH3COO]- 206.06701 175.2
[M+Na-2H]- 168.02783 131.9
[M]+ 147.05261 129.0
[M]- 147.05371 129.0
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