CID 93481914

Einecs 247-275-5

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
1
Annotation Hits

0
References

0
Patents

266.1647 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.17198 171.5
[M+Na]+ 289.15392 175.3
[M-H]- 265.15742 166.8
[M+NH4]+ 284.19852 187.4
[M+K]+ 305.12786 173.6
[M+H-H2O]+ 249.16196 164.0
[M+HCOO]- 311.16290 194.0
[M+CH3COO]- 325.17855 195.3
[M+Na-2H]- 287.13937 170.3
[M]+ 266.16415 176.8
[M]- 266.16525 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.