CID 545973

13,17,21-trimethyltritriacontane

Structural Information

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

No literature data available for this compound.

Patent stripe

patents stripe