CID 75493

3,6,9,12,15,18-hexaoxahexatriacontan-1-ol

Structural Information

Molecular Formula
C30H62O7
SMILES
CCCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCO
InChI
InChI=1S/C30H62O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-32-21-23-34-25-27-36-29-30-37-28-26-35-24-22-33-20-18-31/h31H,2-30H2,1H3
InChIKey
BGTZEQVWUZNMIY-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[2-(2-octadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

739
Patents

534.4495 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 535.45678 247.0
[M+Na]+ 557.43872 248.6
[M-H]- 533.44222 230.0
[M+NH4]+ 552.48332 245.0
[M+K]+ 573.41266 246.9
[M+H-H2O]+ 517.44676 246.2
[M+HCOO]- 579.44770 256.3
[M+CH3COO]- 593.46335 248.2
[M+Na-2H]- 555.42417 229.3
[M]+ 534.44895 246.9
[M]- 534.45005 246.9
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