CID 12412

Hexatriacontane

Structural Information

Molecular Formula
C36H74
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
InChI
InChI=1S/C36H74/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3
InChIKey
YDLYQMBWCWFRAI-UHFFFAOYSA-N
Compound name
hexatriacontane
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

15
References

4658
Patents

506.57904 Da
Monoisotopic Mass

19.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 507.586316 250.6
[M+Na]+ 529.568258 259.5
[M-H]- 505.571764 230.8
[M+NH4]+ 524.612863 249.1
[M+K]+ 545.542198 237.3
[M+H-H2O]+ 489.576300 240.6
[M+HCOO]- 551.577241 262.5
[M+CH3COO]- 565.592891 256.2
[M+Na-2H]- 527.553706 241.8
[M]+ 506.57849142 255.5
[M]- 506.57958858 255.5
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