CID 6430427

4,8,16-trimethyldotriacontane

Structural Information

Molecular Formula
C35H72
SMILES
CCCCCCCCCCCCCCCCC(C)CCCCCCCC(C)CCCC(C)CCC
InChI
InChI=1S/C35H72/c1-6-8-9-10-11-12-13-14-15-16-17-18-20-23-28-34(4)29-24-21-19-22-25-30-35(5)32-26-31-33(3)27-7-2/h33-35H,6-32H2,1-5H3
InChIKey
XAFPRWYKXXBKSF-UHFFFAOYSA-N
Compound name
4,8,16-trimethyldotriacontane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

492.56342 Da
Monoisotopic Mass

18.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 493.57070 250.7
[M+Na]+ 515.55264 255.2
[M-H]- 491.55614 229.9
[M+NH4]+ 510.59724 248.0
[M+K]+ 531.52658 238.7
[M+H-H2O]+ 475.56068 241.3
[M+HCOO]- 537.56162 250.0
[M+CH3COO]- 551.57727 255.3
[M+Na-2H]- 513.53809 238.4
[M]+ 492.56287 249.7
[M]- 492.56397 249.7
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

No patent data available for this compound.