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

43585
Patents

242.26097 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.268246 168.1
[M+Na]+ 265.250188 170.7
[M-H]- 241.253694 165.1
[M+NH4]+ 260.294793 185.2
[M+K]+ 281.224128 167.5
[M+H-H2O]+ 225.258230 162.0
[M+HCOO]- 287.259171 187.3
[M+CH3COO]- 301.274821 196.8
[M+Na-2H]- 263.235636 169.3
[M]+ 242.26042142 172.7
[M]- 242.26151858 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