CID 114842

Nonatriacontane

Structural Information

Molecular Formula
C39H80
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
InChI
InChI=1S/C39H80/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-39H2,1-2H3
InChIKey
SNXOSZZZNFRFNZ-UHFFFAOYSA-N
Compound name
nonatriacontane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

483
Patents

548.626 Da
Monoisotopic Mass

20.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 549.63328 264.7
[M+Na]+ 571.61522 269.4
[M-H]- 547.61872 240.1
[M+NH4]+ 566.65982 259.5
[M+K]+ 587.58916 271.9
[M+H-H2O]+ 531.62326 262.7
[M+HCOO]- 593.62420 271.8
[M+CH3COO]- 607.63985 264.6
[M+Na-2H]- 569.60067 246.4
[M]+ 548.62545 265.6
[M]- 548.62655 265.6
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

patents stripe