CID 86602

1-eicosanol, 2-hexadecyl-

Structural Information

Molecular Formula
C36H74O
SMILES
CCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC)CO
InChI
InChI=1S/C36H74O/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36(35-37)33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h36-37H,3-35H2,1-2H3
InChIKey
JQJGGMZIMBGQQY-UHFFFAOYSA-N
Compound name
2-hexadecylicosan-1-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

666
Patents

522.574 Da
Monoisotopic Mass

17.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 523.58128 254.6
[M+Na]+ 545.56322 258.9
[M-H]- 521.56672 233.0
[M+NH4]+ 540.60782 249.6
[M+K]+ 561.53716 260.7
[M+H-H2O]+ 505.57126 245.2
[M+HCOO]- 567.57220 259.0
[M+CH3COO]- 581.58785 255.8
[M+Na-2H]- 543.54867 237.2
[M]+ 522.57345 254.3
[M]- 522.57455 254.3
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