CID 50986241

Ap-ep

Structural Information

Molecular Formula
C2H9NO7P2
SMILES
C(C(N)P(=O)(O)O)OP(=O)(O)O
InChI
InChI=1S/C2H9NO7P2/c3-2(11(4,5)6)1-10-12(7,8)9/h2H,1,3H2,(H2,4,5,6)(H2,7,8,9)
InChIKey
AJBXZWTWPNKINS-UHFFFAOYSA-N
Compound name
(1-amino-2-phosphonooxyethyl)phosphonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

220.98543 Da
Monoisotopic Mass

-6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.99271 146.1
[M+Na]+ 243.97465 151.4
[M-H]- 219.97815 138.3
[M+NH4]+ 239.01925 161.4
[M+K]+ 259.94859 151.7
[M+H-H2O]+ 203.98269 137.5
[M+HCOO]- 265.98363 173.0
[M+CH3COO]- 279.99928 178.7
[M+Na-2H]- 241.96010 147.5
[M]+ 220.98488 145.8
[M]- 220.98598 145.8
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.