CID 56936153

13,17-dimethyltritetracontane

Structural Information

Molecular Formula
C45H92
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCC(C)CCCC(C)CCCCCCCCCCCC
InChI
InChI=1S/C45H92/c1-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-30-32-34-36-38-41-45(4)43-39-42-44(3)40-37-35-33-31-16-14-12-10-8-6-2/h44-45H,5-43H2,1-4H3
InChIKey
MTZMODVLJPKVMJ-UHFFFAOYSA-N
Compound name
13,17-dimethyltritetracontane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

632.7199 Da
Monoisotopic Mass

24.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 633.72718 283.1
[M+Na]+ 655.70912 287.9
[M-H]- 631.71262 259.5
[M+NH4]+ 650.75372 281.0
[M+K]+ 671.68306 293.9
[M+H-H2O]+ 615.71716 281.7
[M+HCOO]- 677.71810 283.5
[M+CH3COO]- 691.73375 282.3
[M+Na-2H]- 653.69457 263.7
[M]+ 632.71935 283.6
[M]- 632.72045 283.6
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.