CID 73188

Phosphonoacetamide

Structural Information

Molecular Formula
C2H6NO4P
SMILES
C(C(=O)N)P(=O)(O)O
InChI
InChI=1S/C2H6NO4P/c3-2(4)1-8(5,6)7/h1H2,(H2,3,4)(H2,5,6,7)
InChIKey
AKVIWWJLBFWFLM-UHFFFAOYSA-N
Compound name
(2-amino-2-oxoethyl)phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

599
Patents

139.00345 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.010726 126.5
[M+Na]+ 161.992668 133.7
[M-H]- 137.996174 122.9
[M+NH4]+ 157.037273 146.6
[M+K]+ 177.966608 133.5
[M+H-H2O]+ 122.000710 120.4
[M+HCOO]- 184.001651 152.7
[M+CH3COO]- 198.017301 168.4
[M+Na-2H]- 159.978116 129.6
[M]+ 139.00290142 125.3
[M]- 139.00399858 125.3
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