CID 16206879

Phosphoric acid dimethyl 2-chloro-3-(ethylamino)-1-methyl-3-oxo-1-propenyl ester

Structural Information

Molecular Formula
C8H15ClNO5P
SMILES
CCNC(=O)/C(=C(\C)/OP(=O)(OC)OC)/Cl
InChI
InChI=1S/C8H15ClNO5P/c1-5-10-8(11)7(9)6(2)15-16(12,13-3)14-4/h5H2,1-4H3,(H,10,11)/b7-6-
InChIKey
IWYQSQKKOOZLFH-SREVYHEPSA-N
Compound name
[(Z)-3-chloro-4-(ethylamino)-4-oxobut-2-en-2-yl] dimethyl phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

271.03763 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.044906 155.7
[M+Na]+ 294.026848 162.2
[M-H]- 270.030354 155.2
[M+NH4]+ 289.071453 173.3
[M+K]+ 310.000788 161.6
[M+H-H2O]+ 254.034890 149.6
[M+HCOO]- 316.035831 178.1
[M+CH3COO]- 330.051481 197.6
[M+Na-2H]- 292.012296 156.1
[M]+ 271.03708142 163.2
[M]- 271.03817858 163.2
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

No patent data available for this compound.