CID 11021740

Ec 601-818-6

Structural Information

Molecular Formula
C11H21O5P
SMILES
CCOC(=O)/C(=C/CP(=O)(OCC)OCC)/C
InChI
InChI=1S/C11H21O5P/c1-5-14-11(12)10(4)8-9-17(13,15-6-2)16-7-3/h8H,5-7,9H2,1-4H3/b10-8+
InChIKey
UJTQBEHQOLXVAK-CSKARUKUSA-N
Compound name
ethyl (E)-4-diethoxyphosphoryl-2-methylbut-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

264.11267 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.11995 163.1
[M+Na]+ 287.10189 168.7
[M-H]- 263.10539 161.8
[M+NH4]+ 282.14649 180.5
[M+K]+ 303.07583 169.0
[M+H-H2O]+ 247.10993 155.7
[M+HCOO]- 309.11087 188.8
[M+CH3COO]- 323.12652 197.0
[M+Na-2H]- 285.08734 162.9
[M]+ 264.11212 171.4
[M]- 264.11322 171.4
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