CID 535795

6245-75-6

Structural Information

Molecular Formula
C7H11NO6
SMILES
C(CN(CC(=O)O)CC(=O)O)C(=O)O
InChI
InChI=1S/C7H11NO6/c9-5(10)1-2-8(3-6(11)12)4-7(13)14/h1-4H2,(H,9,10)(H,11,12)(H,13,14)
InChIKey
UWRBFYBQPCJRRL-UHFFFAOYSA-N
Compound name
3-[bis(carboxymethyl)amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

8
References

7239
Patents

205.05864 Da
Monoisotopic Mass

-3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.06592 141.3
[M+Na]+ 228.04786 145.9
[M-H]- 204.05136 138.6
[M+NH4]+ 223.09246 157.8
[M+K]+ 244.02180 146.8
[M+H-H2O]+ 188.05590 135.8
[M+HCOO]- 250.05684 160.8
[M+CH3COO]- 264.07249 183.4
[M+Na-2H]- 226.03331 142.2
[M]+ 205.05809 142.3
[M]- 205.05919 142.3
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.