CID 85807463

3,6,9,12,15,18,21,24,27-nonaoxahexatriacontan-1-ol

Structural Information

Molecular Formula
C27H56O10
SMILES
CCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
InChI
InChI=1S/C27H56O10/c1-2-3-4-5-6-7-8-10-29-12-14-31-16-18-33-20-22-35-24-26-37-27-25-36-23-21-34-19-17-32-15-13-30-11-9-28/h28H,2-27H2,1H3
InChIKey
VTBLRCAZDSVXRA-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[2-[2-[2-[2-(2-nonoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

540.3873 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 541.39458 245.4
[M+Na]+ 563.37652 246.0
[M-H]- 539.38002 231.5
[M+NH4]+ 558.42112 245.8
[M+K]+ 579.35046 242.7
[M+H-H2O]+ 523.38456 245.4
[M+HCOO]- 585.38550 255.9
[M+CH3COO]- 599.40115 245.1
[M+Na-2H]- 561.36197 227.8
[M]+ 540.38675 245.9
[M]- 540.38785 245.9
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

No patent data available for this compound.