CID 6437811

2-chloro-3-(ethylamino)-1-methyl-3-oxo-1-propenyl dimethyl phosphate

Structural Information

Molecular Formula
C8H15ClNO5P
SMILES
C/C(=C\C(=O)NCCOP(=O)(OC)OC)/Cl
InChI
InChI=1S/C8H15ClNO5P/c1-7(9)6-8(11)10-4-5-15-16(12,13-2)14-3/h6H,4-5H2,1-3H3,(H,10,11)/b7-6+
InChIKey
AGMRZPQLAUDHCO-VOTSOKGWSA-N
Compound name
2-[[(E)-3-chlorobut-2-enoyl]amino]ethyl dimethyl phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

271.03763 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.044906 156.2
[M+Na]+ 294.026848 162.9
[M-H]- 270.030354 155.5
[M+NH4]+ 289.071453 173.8
[M+K]+ 310.000788 161.8
[M+H-H2O]+ 254.034890 149.9
[M+HCOO]- 316.035831 179.6
[M+CH3COO]- 330.051481 196.7
[M+Na-2H]- 292.012296 157.8
[M]+ 271.03708142 164.3
[M]- 271.03817858 164.3
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.