CID 278

Carbamoyl phosphate

Structural Information

Molecular Formula
CH4NO5P
SMILES
C(=O)(N)OP(=O)(O)O
InChI
InChI=1S/CH4NO5P/c2-1(3)7-8(4,5)6/h(H2,2,3)(H2,4,5,6)
InChIKey
FFQKYPRQEYGKAF-UHFFFAOYSA-N
Compound name
phosphono carbamate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

892
References

7234
Patents

140.98271 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.98999 123.9
[M+Na]+ 163.97193 131.4
[M-H]- 139.97543 120.4
[M+NH4]+ 159.01653 143.8
[M+K]+ 179.94587 132.0
[M+H-H2O]+ 123.97997 117.7
[M+HCOO]- 185.98091 150.7
[M+CH3COO]- 199.99656 166.9
[M+Na-2H]- 161.95738 127.7
[M]+ 140.98216 123.6
[M]- 140.98326 123.6
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