PubChemLite - Iminodiacetic acid (C4H7NO4)

Structural Information

Molecular Formula

C₄H₇NO₄

SMILES

C(C(=O)O)NCC(=O)O

InChI

InChI=1S/C4H7NO4/c6-3(7)1-5-2-4(8)9/h5H,1-2H2,(H,6,7)(H,8,9)

InChIKey

NBZBKCUXIYYUSX-UHFFFAOYSA-N

Compound name

2-(carboxymethylamino)acetic acid

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	134.04478	125.3
[M+Na]+	156.02672	132.3
[M+NH4]+	151.07132	130.6
[M+K]+	172.00066	130.4
[M-H]-	132.03022	122.0
[M+Na-2H]-	154.01217	126.4
[M]+	133.03695	124.6
[M]-	133.03805	124.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

134.04478

125.3

[M+Na]+

156.02672

132.3

[M+NH4]+

151.07132

130.6

[M+K]+

172.00066

130.4

[M-H]-

132.03022

122.0

[M+Na-2H]-

154.01217

126.4

[M]+

133.03695

124.6

[M]-

133.03805

124.6

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Iminodiacetic acid

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe