CID 56936141

11,15,19-trimethyltritriacontane

Structural Information

Molecular Formula
C36H74
SMILES
CCCCCCCCCCCCCCC(C)CCCC(C)CCCC(C)CCCCCCCCCC
InChI
InChI=1S/C36H74/c1-6-8-10-12-14-16-17-18-19-21-23-25-29-35(4)31-27-33-36(5)32-26-30-34(3)28-24-22-20-15-13-11-9-7-2/h34-36H,6-33H2,1-5H3
InChIKey
XDVMRDOQOPFZBZ-UHFFFAOYSA-N
Compound name
11,15,19-trimethyltritriacontane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

506.57904 Da
Monoisotopic Mass

18.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 507.586316 251.7
[M+Na]+ 529.568258 258.5
[M-H]- 505.571764 233.0
[M+NH4]+ 524.612863 251.5
[M+K]+ 545.542198 261.4
[M+H-H2O]+ 489.576300 245.3
[M+HCOO]- 551.577241 253.1
[M+CH3COO]- 565.592891 258.1
[M+Na-2H]- 527.553706 242.1
[M]+ 506.57849142 253.0
[M]- 506.57958858 253.0
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