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 150.9
[M+Na]+ 262.04510 156.4
[M-H]- 238.04860 148.5
[M+NH4]+ 257.08970 167.8
[M+K]+ 278.01904 157.4
[M+H-H2O]+ 222.05314 143.4
[M+HCOO]- 284.05408 177.4
[M+CH3COO]- 298.06973 189.7
[M+Na-2H]- 260.03055 152.6
[M]+ 239.05533 156.0
[M]- 239.05643 156.0
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.