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

54
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 197.7
[M+Na]+ 391.22202 199.2
[M-H]- 367.22552 184.6
[M+NH4]+ 386.26662 192.9
[M+K]+ 407.19596 197.1
[M+H-H2O]+ 351.23006 188.6
[M+HCOO]- 413.23100 210.2
[M+CH3COO]- 427.24665 213.5
[M+Na-2H]- 389.20747 195.8
[M]+ 368.23225 193.5
[M]- 368.23335 193.5
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