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
1
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]+ 272.04491 156.2
[M+Na]+ 294.02685 162.9
[M-H]- 270.03035 155.5
[M+NH4]+ 289.07145 173.8
[M+K]+ 310.00079 161.8
[M+H-H2O]+ 254.03489 149.9
[M+HCOO]- 316.03583 179.6
[M+CH3COO]- 330.05148 196.7
[M+Na-2H]- 292.01230 157.8
[M]+ 271.03708 164.3
[M]- 271.03818 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.