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
1
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]+ 272.04491 155.7
[M+Na]+ 294.02685 162.2
[M-H]- 270.03035 155.2
[M+NH4]+ 289.07145 173.3
[M+K]+ 310.00079 161.6
[M+H-H2O]+ 254.03489 149.6
[M+HCOO]- 316.03583 178.1
[M+CH3COO]- 330.05148 197.6
[M+Na-2H]- 292.01230 156.1
[M]+ 271.03708 163.2
[M]- 271.03818 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.