CID 68406

1-octacosanol

Structural Information

Molecular Formula
C28H58O
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCCO
InChI
InChI=1S/C28H58O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29/h29H,2-28H2,1H3
InChIKey
CNNRPFQICPFDPO-UHFFFAOYSA-N
Compound name
octacosan-1-ol
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

110
References

11296
Patents

410.44876 Da
Monoisotopic Mass

13.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.45604 220.3
[M+Na]+ 433.43798 217.9
[M-H]- 409.44148 214.8
[M+NH4]+ 428.48258 230.5
[M+K]+ 449.41192 211.4
[M+H-H2O]+ 393.44602 211.8
[M+HCOO]- 455.44696 235.4
[M+CH3COO]- 469.46261 232.2
[M+Na-2H]- 431.42343 215.1
[M]+ 410.44821 229.4
[M]- 410.44931 229.4
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