CID 8897

Iminodiacetic acid

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

compound 2d structure
6
Annotation Hits

597
References

65553
Patents

133.0375 Da
Monoisotopic Mass

-3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.044776 124.3
[M+Na]+ 156.026718 130.5
[M-H]- 132.030224 122.0
[M+NH4]+ 151.071323 144.1
[M+K]+ 172.000658 130.5
[M+H-H2O]+ 116.034760 119.6
[M+HCOO]- 178.035701 146.0
[M+CH3COO]- 192.051351 168.8
[M+Na-2H]- 154.012166 128.9
[M]+ 133.03695142 123.1
[M]- 133.03804858 123.1
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