CID 2682

1-hexadecanol

Structural Information

Molecular Formula
C16H34O
SMILES
CCCCCCCCCCCCCCCCO
InChI
InChI=1S/C16H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-16H2,1H3
InChIKey
BXWNKGSJHAJOGX-UHFFFAOYSA-N
Compound name
hexadecan-1-ol
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

334
References

41281
Patents

242.26097 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.26825 168.1
[M+Na]+ 265.25019 170.7
[M-H]- 241.25369 165.1
[M+NH4]+ 260.29479 185.2
[M+K]+ 281.22413 167.5
[M+H-H2O]+ 225.25823 162.0
[M+HCOO]- 287.25917 187.3
[M+CH3COO]- 301.27482 196.8
[M+Na-2H]- 263.23564 169.3
[M]+ 242.26042 172.7
[M]- 242.26152 172.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe