CID 105186

Trideceth-2 phosphate

Structural Information

Molecular Formula
C17H37O6P
SMILES
CCCCCCCCCCCCCOCCOCCOP(=O)(O)O
InChI
InChI=1S/C17H37O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-21-14-15-22-16-17-23-24(18,19)20/h2-17H2,1H3,(H2,18,19,20)
InChIKey
SMMIELDEPIIJLI-UHFFFAOYSA-N
Compound name
2-(2-tridecoxyethoxy)ethyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

368.2328 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.24008 192.5
[M+Na]+ 391.22202 196.7
[M+NH4]+ 386.26662 200.5
[M+K]+ 407.19596 197.4
[M-H]- 367.22552 187.9
[M+Na-2H]- 389.20747 189.6
[M]+ 368.23225 190.9
[M]- 368.23335 190.9
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