CID 11008

Dotriacontane

Structural Information

Molecular Formula
C32H66
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
InChI
InChI=1S/C32H66/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-32H2,1-2H3
InChIKey
QHMGJGNTMQDRQA-UHFFFAOYSA-N
Compound name
dotriacontane
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

27
References

2747
Patents

450.51645 Da
Monoisotopic Mass

16.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.52373 232.2
[M+Na]+ 473.50567 238.5
[M+NH4]+ 468.55027 232.7
[M+K]+ 489.47961 225.4
[M-H]- 449.50917 231.8
[M+Na-2H]- 471.49112 230.6
[M]+ 450.51590 232.9
[M]- 450.51700 232.9
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