CID 135504827

Fosfocreatinine

Structural Information

Molecular Formula
C4H8N3O4P
SMILES
CN\1CC(=O)N/C1=N\P(=O)(O)O
InChI
InChI=1S/C4H8N3O4P/c1-7-2-3(8)5-4(7)6-12(9,10)11/h2H2,1H3,(H3,5,6,8,9,10,11)
InChIKey
HIPLEPXPNLWKCQ-UHFFFAOYSA-N
Compound name
[(E)-(1-methyl-4-oxoimidazolidin-2-ylidene)amino]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

125
References

252
Patents

193.02524 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.032516 138.0
[M+Na]+ 216.014458 145.3
[M-H]- 192.017964 135.4
[M+NH4]+ 211.059063 155.3
[M+K]+ 231.988398 144.1
[M+H-H2O]+ 176.022500 129.9
[M+HCOO]- 238.023441 162.1
[M+CH3COO]- 252.039091 177.0
[M+Na-2H]- 213.999906 139.9
[M]+ 193.02469142 135.2
[M]- 193.02578858 135.2
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

No patent data available for this compound.