CID 21118878

L-aspartic acid, n,n-bis(phosphonomethyl)-

Structural Information

Molecular Formula
C6H13NO10P2
SMILES
C([C@@H](C(=O)O)N(CP(=O)(O)O)CP(=O)(O)O)C(=O)O
InChI
InChI=1S/C6H13NO10P2/c8-5(9)1-4(6(10)11)7(2-18(12,13)14)3-19(15,16)17/h4H,1-3H2,(H,8,9)(H,10,11)(H2,12,13,14)(H2,15,16,17)/t4-/m0/s1
InChIKey
HHYWZGRWGMVMPK-BYPYZUCNSA-N
Compound name
(2S)-2-[bis(phosphonomethyl)amino]butanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

321.00146 Da
Monoisotopic Mass

-6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.00874 166.5
[M+Na]+ 343.99068 169.4
[M-H]- 319.99418 172.5
[M+NH4]+ 339.03528 168.4
[M+K]+ 359.96462 159.0
[M+H-H2O]+ 303.99872 148.5
[M+HCOO]- 365.99966 172.5
[M+CH3COO]- 380.01531 197.2
[M+Na-2H]- 341.97613 155.0
[M]+ 321.00091 159.8
[M]- 321.00201 159.8
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.