CID 135071

85590-00-7

Structural Information

Molecular Formula
C14H27O6P
SMILES
CC(=C)C(=O)OCCCCCCCCCCOP(=O)(O)O
InChI
InChI=1S/C14H27O6P/c1-13(2)14(15)19-11-9-7-5-3-4-6-8-10-12-20-21(16,17)18/h1,3-12H2,2H3,(H2,16,17,18)
InChIKey
CFKBCVIYTWDYRP-UHFFFAOYSA-N
Compound name
10-phosphonooxydecyl 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

267
References

3311
Patents

322.1545 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.16178 181.4
[M+Na]+ 345.14372 184.4
[M-H]- 321.14722 176.4
[M+NH4]+ 340.18832 179.8
[M+K]+ 361.11766 182.8
[M+H-H2O]+ 305.15176 173.3
[M+HCOO]- 367.15270 191.3
[M+CH3COO]- 381.16835 203.7
[M+Na-2H]- 343.12917 178.6
[M]+ 322.15395 188.2
[M]- 322.15505 188.2
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