CID 3038498

Fospropofol

Structural Information

Molecular Formula
C13H21O5P
SMILES
CC(C)C1=C(C(=CC=C1)C(C)C)OCOP(=O)(O)O
InChI
InChI=1S/C13H21O5P/c1-9(2)11-6-5-7-12(10(3)4)13(11)17-8-18-19(14,15)16/h5-7,9-10H,8H2,1-4H3,(H2,14,15,16)
InChIKey
QVNNONOFASOXQV-UHFFFAOYSA-N
Compound name
[2,6-di(propan-2-yl)phenoxy]methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

94
References

974
Patents

288.11267 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.11995 167.8
[M+Na]+ 311.10189 173.6
[M-H]- 287.10539 167.6
[M+NH4]+ 306.14649 182.8
[M+K]+ 327.07583 172.7
[M+H-H2O]+ 271.10993 159.8
[M+HCOO]- 333.11087 190.8
[M+CH3COO]- 347.12652 199.2
[M+Na-2H]- 309.08734 166.5
[M]+ 288.11212 172.3
[M]- 288.11322 172.3
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