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 154.3
[M+Na]+ 276.06074 159.7
[M-H]- 252.06424 153.4
[M+NH4]+ 271.10534 171.4
[M+K]+ 292.03468 161.9
[M+H-H2O]+ 236.06878 146.7
[M+HCOO]- 298.06972 181.2
[M+CH3COO]- 312.08537 196.0
[M+Na-2H]- 274.04619 155.0
[M]+ 253.07097 161.2
[M]- 253.07207 161.2
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.