CID 80092

5994-61-6

Structural Information

Molecular Formula
C5H10NO7P
SMILES
C(C(=O)O)N(CC(=O)O)CP(=O)(O)O
InChI
InChI=1S/C5H10NO7P/c7-4(8)1-6(2-5(9)10)3-14(11,12)13/h1-3H2,(H,7,8)(H,9,10)(H2,11,12,13)
InChIKey
AZIHIQIVLANVKD-UHFFFAOYSA-N
Compound name
2-[carboxymethyl(phosphonomethyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

11
References

3164
Patents

227.01949 Da
Monoisotopic Mass

-4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.02677 144.6
[M+Na]+ 250.00871 149.4
[M-H]- 226.01221 139.6
[M+NH4]+ 245.05331 160.1
[M+K]+ 265.98265 150.4
[M+H-H2O]+ 210.01675 137.6
[M+HCOO]- 272.01769 167.9
[M+CH3COO]- 286.03334 183.5
[M+Na-2H]- 247.99416 145.2
[M]+ 227.01894 145.9
[M]- 227.02004 145.9
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