CID 15897830

Hydroxystearyl cetyl ether

Structural Information

Molecular Formula
C34H70O2
SMILES
CCCCCCCCCCCCCCCCC(COCCCCCCCCCCCCCCCC)O
InChI
InChI=1S/C34H70O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-34(35)33-36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h34-35H,3-33H2,1-2H3
InChIKey
DGCGMZBRNYIXRN-UHFFFAOYSA-N
Compound name
1-hexadecoxyoctadecan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

403
Patents

510.53757 Da
Monoisotopic Mass

15.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 511.54485 249.4
[M+Na]+ 533.52679 253.5
[M-H]- 509.53029 229.2
[M+NH4]+ 528.57139 245.1
[M+K]+ 549.50073 254.3
[M+H-H2O]+ 493.53483 240.0
[M+HCOO]- 555.53577 254.6
[M+CH3COO]- 569.55142 251.8
[M+Na-2H]- 531.51224 232.4
[M]+ 510.53702 249.1
[M]- 510.53812 249.1
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

patents stripe