CID 93481914

25807-71-0

Structural Information

Molecular Formula
C12H27O4P
SMILES
CCCCCC[C@H](CCCC)COP(=O)(O)O
InChI
InChI=1S/C12H27O4P/c1-3-5-7-8-10-12(9-6-4-2)11-16-17(13,14)15/h12H,3-11H2,1-2H3,(H2,13,14,15)/t12-/m0/s1
InChIKey
CWNUFCATZZTYES-LBPRGKRZSA-N
Compound name
[(2S)-2-butyloctyl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

190
Patents

266.1647 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.171976 171.5
[M+Na]+ 289.153918 175.3
[M-H]- 265.157424 166.8
[M+NH4]+ 284.198523 187.4
[M+K]+ 305.127858 173.6
[M+H-H2O]+ 249.161960 164.0
[M+HCOO]- 311.162901 194.0
[M+CH3COO]- 325.178551 195.3
[M+Na-2H]- 287.139366 170.3
[M]+ 266.16415142 176.8
[M]- 266.16524858 176.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.