CID 94435

2-tetradecyloctadecan-1-ol

Structural Information

Molecular Formula
C32H66O
SMILES
CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)CO
InChI
InChI=1S/C32H66O/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32(31-33)29-27-25-23-21-19-16-14-12-10-8-6-4-2/h32-33H,3-31H2,1-2H3
InChIKey
RTXVDAJGIYOHFY-UHFFFAOYSA-N
Compound name
2-tetradecyloctadecan-1-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1246
Patents

466.51135 Da
Monoisotopic Mass

15.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.51863 238.6
[M+Na]+ 489.50057 234.4
[M-H]- 465.50407 220.5
[M+NH4]+ 484.54517 235.7
[M+K]+ 505.47451 227.3
[M+H-H2O]+ 449.50861 229.5
[M+HCOO]- 511.50955 246.5
[M+CH3COO]- 525.52520 244.4
[M+Na-2H]- 487.48602 230.1
[M]+ 466.51080 248.6
[M]- 466.51190 248.6
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