CID 113137

63217-09-4

Structural Information

Molecular Formula
C13H29O8P
SMILES
CC(C)CCOCCOCCOCCOCCOP(=O)(O)O
InChI
InChI=1S/C13H29O8P/c1-13(2)3-4-17-5-6-18-7-8-19-9-10-20-11-12-21-22(14,15)16/h13H,3-12H2,1-2H3,(H2,14,15,16)
InChIKey
CXWZTSQXXIMONI-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

344.16 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.16728 182.8
[M+Na]+ 367.14922 185.3
[M-H]- 343.15272 180.2
[M+NH4]+ 362.19382 187.4
[M+K]+ 383.12316 186.0
[M+H-H2O]+ 327.15726 174.0
[M+HCOO]- 389.15820 200.7
[M+CH3COO]- 403.17385 206.6
[M+Na-2H]- 365.13467 182.4
[M]+ 344.15945 185.4
[M]- 344.16055 185.4
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.