CID 6430412

3,15-dimethyltritriacontane

Structural Information

Molecular Formula
C35H72
SMILES
CCCCCCCCCCCCCCCCCCC(C)CCCCCCCCCCCC(C)CC
InChI
InChI=1S/C35H72/c1-5-7-8-9-10-11-12-13-14-15-16-17-19-23-26-29-32-35(4)33-30-27-24-21-18-20-22-25-28-31-34(3)6-2/h34-35H,5-33H2,1-4H3
InChIKey
IUDOYZRGYQGKJZ-UHFFFAOYSA-N
Compound name
3,15-dimethyltritriacontane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

492.56342 Da
Monoisotopic Mass

18.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 493.57070 249.7
[M+Na]+ 515.55264 255.7
[M-H]- 491.55614 229.3
[M+NH4]+ 510.59724 247.3
[M+K]+ 531.52658 237.4
[M+H-H2O]+ 475.56068 240.1
[M+HCOO]- 537.56162 253.2
[M+CH3COO]- 551.57727 254.6
[M+Na-2H]- 513.53809 238.7
[M]+ 492.56287 250.6
[M]- 492.56397 250.6
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.