CID 15920074

3,6,9,12,15,18,21-heptaoxatetratriacontan-1-ol

Structural Information

Molecular Formula
C27H56O8
SMILES
CCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCO
InChI
InChI=1S/C27H56O8/c1-2-3-4-5-6-7-8-9-10-11-12-14-29-16-18-31-20-22-33-24-26-35-27-25-34-23-21-32-19-17-30-15-13-28/h28H,2-27H2,1H3
InChIKey
RKVQJLPCUPYDCX-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

508.39752 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 509.40480 239.0
[M+Na]+ 531.38674 240.6
[M-H]- 507.39024 223.8
[M+NH4]+ 526.43134 237.8
[M+K]+ 547.36068 237.5
[M+H-H2O]+ 491.39478 238.7
[M+HCOO]- 553.39572 249.5
[M+CH3COO]- 567.41137 241.6
[M+Na-2H]- 529.37219 222.2
[M]+ 508.39697 239.1
[M]- 508.39807 239.1
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.