CID 6444322

2673-65-6

Structural Information

Molecular Formula
C8H16NO6P
SMILES
C/C(=C\C(=O)N(C)CO)/OP(=O)(OC)OC
InChI
InChI=1S/C8H16NO6P/c1-7(5-8(11)9(2)6-10)15-16(12,13-3)14-4/h5,10H,6H2,1-4H3/b7-5+
InChIKey
MNHIWQQZYFPRKS-FNORWQNLSA-N
Compound name
[(E)-4-[hydroxymethyl(methyl)amino]-4-oxobut-2-en-2-yl] dimethyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.07152 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.07880 155.0
[M+Na]+ 276.06074 160.0
[M+NH4]+ 271.10534 158.0
[M+K]+ 292.03468 159.7
[M-H]- 252.06424 150.0
[M+Na-2H]- 274.04619 154.0
[M]+ 253.07097 153.5
[M]- 253.07207 153.5
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.