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

0
Patents

506.57904 Da
Monoisotopic Mass

18.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 507.58632 251.7
[M+Na]+ 529.56826 258.5
[M-H]- 505.57176 233.0
[M+NH4]+ 524.61286 251.5
[M+K]+ 545.54220 261.4
[M+H-H2O]+ 489.57630 245.3
[M+HCOO]- 551.57724 253.1
[M+CH3COO]- 565.59289 258.1
[M+Na-2H]- 527.55371 242.1
[M]+ 506.57849 253.0
[M]- 506.57959 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

No patent data available for this compound.