CID 9947830

Trisodium n,n-bis(carboxymethyl)-3-amino-2-hydroxypropionate

Structural Information

Molecular Formula
C7H11NO7
SMILES
C(C(C(=O)O)O)N(CC(=O)O)CC(=O)O
InChI
InChI=1S/C7H11NO7/c9-4(7(14)15)1-8(2-5(10)11)3-6(12)13/h4,9H,1-3H2,(H,10,11)(H,12,13)(H,14,15)
InChIKey
ODAKQJVOEZMLOD-UHFFFAOYSA-N
Compound name
3-[bis(carboxymethyl)amino]-2-hydroxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3056
Patents

221.05356 Da
Monoisotopic Mass

-3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.06084 143.9
[M+Na]+ 244.04278 147.7
[M-H]- 220.04628 139.8
[M+NH4]+ 239.08738 158.8
[M+K]+ 260.01672 148.9
[M+H-H2O]+ 204.05082 138.4
[M+HCOO]- 266.05176 161.0
[M+CH3COO]- 280.06741 184.5
[M+Na-2H]- 242.02823 143.1
[M]+ 221.05301 143.7
[M]- 221.05411 143.7
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

patents stripe