CID 156150

1-tritriacontanol

Structural Information

Molecular Formula
C33H68O
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO
InChI
InChI=1S/C33H68O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34/h34H,2-33H2,1H3
InChIKey
ZERSFCCIRKUIFX-UHFFFAOYSA-N
Compound name
tritriacontan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

151
Patents

480.527 Da
Monoisotopic Mass

16.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.53428 241.0
[M+Na]+ 503.51622 236.5
[M-H]- 479.51972 222.8
[M+NH4]+ 498.56082 238.3
[M+K]+ 519.49016 228.8
[M+H-H2O]+ 463.52426 231.6
[M+HCOO]- 525.52520 252.6
[M+CH3COO]- 539.54085 246.6
[M+Na-2H]- 501.50167 233.4
[M]+ 480.52645 244.8
[M]- 480.52755 244.8
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