CID 109633

Benzeneoctadecanol

Structural Information

Molecular Formula
C24H42O
SMILES
C1=CC=C(C=C1)CCCCCCCCCCCCCCCCCCO
InChI
InChI=1S/C24H42O/c25-23-19-14-12-10-8-6-4-2-1-3-5-7-9-11-13-16-20-24-21-17-15-18-22-24/h15,17-18,21-22,25H,1-14,16,19-20,23H2
InChIKey
LBVYOCXVSZXQQN-UHFFFAOYSA-N
Compound name
18-phenyloctadecan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

77
Patents

346.32358 Da
Monoisotopic Mass

10.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.33086 195.7
[M+Na]+ 369.31280 196.2
[M-H]- 345.31630 194.8
[M+NH4]+ 364.35740 208.2
[M+K]+ 385.28674 190.1
[M+H-H2O]+ 329.32084 187.2
[M+HCOO]- 391.32178 213.9
[M+CH3COO]- 405.33743 215.8
[M+Na-2H]- 367.29825 195.2
[M]+ 346.32303 200.6
[M]- 346.32413 200.6
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