CID 107112

4-decanol, dihydrogen phosphate

Structural Information

Molecular Formula
C10H23O4P
SMILES
CCCCCCC(CCC)OP(=O)(O)O
InChI
InChI=1S/C10H23O4P/c1-3-5-6-7-9-10(8-4-2)14-15(11,12)13/h10H,3-9H2,1-2H3,(H2,11,12,13)
InChIKey
VEUUGZQJNGFYBU-UHFFFAOYSA-N
Compound name
decan-4-yl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

238.13339 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.14067 162.1
[M+Na]+ 261.12261 166.7
[M-H]- 237.12611 157.8
[M+NH4]+ 256.16721 179.1
[M+K]+ 277.09655 165.5
[M+H-H2O]+ 221.13065 155.0
[M+HCOO]- 283.13159 185.2
[M+CH3COO]- 297.14724 189.2
[M+Na-2H]- 259.10806 161.9
[M]+ 238.13284 166.7
[M]- 238.13394 166.7
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

patents stripe