CID 6430415

3,7,15-trimethylhentriacontane

Structural Information

Molecular Formula
C34H70
SMILES
CCCCCCCCCCCCCCCCC(C)CCCCCCCC(C)CCCC(C)CC
InChI
InChI=1S/C34H70/c1-6-8-9-10-11-12-13-14-15-16-17-18-20-23-27-33(4)28-24-21-19-22-25-29-34(5)31-26-30-32(3)7-2/h32-34H,6-31H2,1-5H3
InChIKey
GNOBVYVZKFZFJR-UHFFFAOYSA-N
Compound name
3,7,15-trimethylhentriacontane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

478.54776 Da
Monoisotopic Mass

17.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.55504 246.4
[M+Na]+ 501.53698 251.9
[M-H]- 477.54048 226.8
[M+NH4]+ 496.58158 244.5
[M+K]+ 517.51092 235.1
[M+H-H2O]+ 461.54502 237.2
[M+HCOO]- 523.54596 246.9
[M+CH3COO]- 537.56161 252.5
[M+Na-2H]- 499.52243 234.7
[M]+ 478.54721 246.3
[M]- 478.54831 246.3
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.