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
2
Annotation Hits

1
References

4465
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 170.4
[M+Na]+ 303.16958 176.4
[M+NH4]+ 298.21418 174.5
[M+K]+ 319.14352 171.7
[M-H]- 279.17308 166.2
[M+Na-2H]- 301.15503 169.4
[M]+ 280.17981 169.5
[M]- 280.18091 169.5
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