CID 135495920

Fosfocreatinine

Structural Information

Molecular Formula
C4H8N3O4P
SMILES
CN1CC(=O)NC1=NP(=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
[(1-methyl-4-oxoimidazolidin-2-ylidene)amino]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

125
References

264
Patents

193.02524 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.03252 138.0
[M+Na]+ 216.01446 145.3
[M-H]- 192.01796 135.4
[M+NH4]+ 211.05906 155.3
[M+K]+ 231.98840 144.1
[M+H-H2O]+ 176.02250 129.9
[M+HCOO]- 238.02344 162.1
[M+CH3COO]- 252.03909 177.0
[M+Na-2H]- 213.99991 139.9
[M]+ 193.02469 135.2
[M]- 193.02579 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

patents stripe