CID 522288

17,21-dimethylheptatriacontane

Structural Information

Molecular Formula
C39H80
SMILES
CCCCCCCCCCCCCCCCC(C)CCCC(C)CCCCCCCCCCCCCCCC
InChI
InChI=1S/C39H80/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-34-38(3)36-33-37-39(4)35-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h38-39H,5-37H2,1-4H3
InChIKey
JFFONUMNQVVGPB-UHFFFAOYSA-N
Compound name
17,21-dimethylheptatriacontane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

548.626 Da
Monoisotopic Mass

20.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 549.63328 263.0
[M+Na]+ 571.61522 268.8
[M-H]- 547.61872 241.6
[M+NH4]+ 566.65982 261.1
[M+K]+ 587.58916 272.4
[M+H-H2O]+ 531.62326 262.3
[M+HCOO]- 593.62420 265.6
[M+CH3COO]- 607.63985 265.8
[M+Na-2H]- 569.60067 246.1
[M]+ 548.62545 264.0
[M]- 548.62655 264.0
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.