CID 13032452

2-octanol, dihydrogen phosphate

Structural Information

Molecular Formula
C8H19O4P
SMILES
CCCCCCC(C)OP(=O)(O)O
InChI
InChI=1S/C8H19O4P/c1-3-4-5-6-7-8(2)12-13(9,10)11/h8H,3-7H2,1-2H3,(H2,9,10,11)
InChIKey
STMLQIACVZOCHU-UHFFFAOYSA-N
Compound name
octan-2-yl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

422
Patents

210.1021 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.10938 152.7
[M+Na]+ 233.09132 158.1
[M-H]- 209.09482 148.7
[M+NH4]+ 228.13592 170.7
[M+K]+ 249.06526 157.4
[M+H-H2O]+ 193.09936 145.9
[M+HCOO]- 255.10030 176.4
[M+CH3COO]- 269.11595 183.2
[M+Na-2H]- 231.07677 153.5
[M]+ 210.10155 156.5
[M]- 210.10265 156.5
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