CID 82161

Monotridecyl phosphate

Structural Information

Molecular Formula
C13H29O4P
SMILES
CCCCCCCCCCCCCOP(=O)(O)O
InChI
InChI=1S/C13H29O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-18(14,15)16/h2-13H2,1H3,(H2,14,15,16)
InChIKey
GAJQCIFYLSXSEZ-UHFFFAOYSA-N
Compound name
tridecyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

5075
Patents

280.18036 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.18764 175.9
[M+Na]+ 303.16958 179.4
[M-H]- 279.17308 170.8
[M+NH4]+ 298.21418 191.2
[M+K]+ 319.14352 177.0
[M+H-H2O]+ 263.17762 168.0
[M+HCOO]- 325.17856 199.0
[M+CH3COO]- 339.19421 197.5
[M+Na-2H]- 301.15503 175.4
[M]+ 280.17981 182.2
[M]- 280.18091 182.2
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.