CID 76399

Amidinophosphoramidic acid

Structural Information

Molecular Formula
CH6N3O3P
SMILES
C(=NP(=O)(O)O)(N)N
InChI
InChI=1S/CH6N3O3P/c2-1(3)4-8(5,6)7/h(H6,2,3,4,5,6,7)
InChIKey
LPKCJFLRJWWIDI-UHFFFAOYSA-N
Compound name
(diaminomethylideneamino)phosphonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

863
Patents

139.01468 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.02196 125.2
[M+Na]+ 162.00390 131.5
[M-H]- 138.00740 122.5
[M+NH4]+ 157.04850 144.9
[M+K]+ 177.97784 131.7
[M+H-H2O]+ 122.01194 118.1
[M+HCOO]- 184.01288 154.2
[M+CH3COO]- 198.02853 175.0
[M+Na-2H]- 159.98935 128.5
[M]+ 139.01413 121.1
[M]- 139.01523 121.1
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