CID 122612

32435-46-4

Structural Information

Molecular Formula
C12H19O8P
SMILES
CC(=C)C(=O)OCCOP(=O)(O)OCCOC(=O)C(=C)C
InChI
InChI=1S/C12H19O8P/c1-9(2)11(13)17-5-7-19-21(15,16)20-8-6-18-12(14)10(3)4/h1,3,5-8H2,2,4H3,(H,15,16)
InChIKey
NXBXJOWBDCQIHF-UHFFFAOYSA-N
Compound name
2-[hydroxy-[2-(2-methylprop-2-enoyloxy)ethoxy]phosphoryl]oxyethyl 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

11
References

6900
Patents

322.08176 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.08904 169.6
[M+Na]+ 345.07098 182.5
[M-H]- 321.07448 176.5
[M+NH4]+ 340.11558 183.7
[M+K]+ 361.04492 174.9
[M+H-H2O]+ 305.07902 162.0
[M+HCOO]- 367.07996 186.9
[M+CH3COO]- 381.09561 203.7
[M+Na-2H]- 343.05643 167.1
[M]+ 322.08121 174.7
[M]- 322.08231 174.7
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