CID 425415

164462-16-2

Structural Information

Molecular Formula
C7H11NO6
SMILES
CC(C(=O)O)N(CC(=O)O)CC(=O)O
InChI
InChI=1S/C7H11NO6/c1-4(7(13)14)8(2-5(9)10)3-6(11)12/h4H,2-3H2,1H3,(H,9,10)(H,11,12)(H,13,14)
InChIKey
CIEZZGWIJBXOTE-UHFFFAOYSA-N
Compound name
2-[bis(carboxymethyl)amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

9
References

24026
Patents

205.05864 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.06592 141.3
[M+Na]+ 228.04786 145.8
[M-H]- 204.05136 138.7
[M+NH4]+ 223.09246 157.8
[M+K]+ 244.02180 147.2
[M+H-H2O]+ 188.05590 136.0
[M+HCOO]- 250.05684 159.8
[M+CH3COO]- 264.07249 184.4
[M+Na-2H]- 226.03331 141.0
[M]+ 205.05809 141.6
[M]- 205.05919 141.6
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.