CID 110699

5723-63-7

Structural Information

Molecular Formula
C10H20NO5P
SMILES
CCOP(=O)(OCC)OC(C=C)C(=O)N(C)C
InChI
InChI=1S/C10H20NO5P/c1-6-9(10(12)11(4)5)16-17(13,14-7-2)15-8-3/h6,9H,1,7-8H2,2-5H3
InChIKey
WWFQNAHITCJRKH-UHFFFAOYSA-N
Compound name
[1-(dimethylamino)-1-oxobut-3-en-2-yl] diethyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.1079 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.11518 160.7
[M+Na]+ 288.09712 165.9
[M-H]- 264.10062 161.0
[M+NH4]+ 283.14172 178.2
[M+K]+ 304.07106 167.8
[M+H-H2O]+ 248.10516 152.9
[M+HCOO]- 310.10610 188.3
[M+CH3COO]- 324.12175 203.1
[M+Na-2H]- 286.08257 160.7
[M]+ 265.10735 169.1
[M]- 265.10845 169.1
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.