CID 6444512

Crotonamide, 3-hydroxy-n-(hydroxymethyl)-, dimethylphosphate, (e)-

Structural Information

Molecular Formula
C7H14NO6P
SMILES
C/C(=C\C(=O)NCO)/OP(=O)(OC)OC
InChI
InChI=1S/C7H14NO6P/c1-6(4-7(10)8-5-9)14-15(11,12-2)13-3/h4,9H,5H2,1-3H3,(H,8,10)/b6-4+
InChIKey
QICWFXHLSZKZNU-GQCTYLIASA-N
Compound name
[(E)-4-(hydroxymethylamino)-4-oxobut-2-en-2-yl] dimethyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.05588 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.06316 151.6
[M+Na]+ 262.04510 156.6
[M+NH4]+ 257.08970 154.6
[M+K]+ 278.01904 156.0
[M-H]- 238.04860 146.4
[M+Na-2H]- 260.03055 150.6
[M]+ 239.05533 150.0
[M]- 239.05643 150.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.