CID 6433442

Diethyl phosphate 3-hydroxycrotonic acid, ethyl ester

Structural Information

Molecular Formula
C10H19O6P
SMILES
CCOC(=O)/C=C(/C)\OP(=O)(OCC)OCC
InChI
InChI=1S/C10H19O6P/c1-5-13-10(11)8-9(4)16-17(12,14-6-2)15-7-3/h8H,5-7H2,1-4H3/b9-8-
InChIKey
JHCCEPMFFLZBLL-HJWRWDBZSA-N
Compound name
ethyl (Z)-3-diethoxyphosphoryloxybut-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.09192 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.09920 160.3
[M+Na]+ 289.08114 166.2
[M-H]- 265.08464 159.1
[M+NH4]+ 284.12574 177.5
[M+K]+ 305.05508 167.3
[M+H-H2O]+ 249.08918 152.9
[M+HCOO]- 311.09012 186.6
[M+CH3COO]- 325.10577 196.1
[M+Na-2H]- 287.06659 160.9
[M]+ 266.09137 169.6
[M]- 266.09247 169.6
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

patents stripe