CID 56936151

13,17-dimethylpentatetracontane

Structural Information

Molecular Formula
C47H96
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCCC(C)CCCC(C)CCCCCCCCCCCC
InChI
InChI=1S/C47H96/c1-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-34-36-38-40-43-47(4)45-41-44-46(3)42-39-37-35-33-16-14-12-10-8-6-2/h46-47H,5-45H2,1-4H3
InChIKey
RSTYGRSAOAXGLZ-UHFFFAOYSA-N
Compound name
13,17-dimethylpentatetracontane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

660.7512 Da
Monoisotopic Mass

25.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 661.75848 289.6
[M+Na]+ 683.74042 294.1
[M-H]- 659.74392 265.2
[M+NH4]+ 678.78502 287.5
[M+K]+ 699.71436 300.9
[M+H-H2O]+ 643.74846 288.0
[M+HCOO]- 705.74940 289.3
[M+CH3COO]- 719.76505 287.6
[M+Na-2H]- 681.72587 269.4
[M]+ 660.75065 290.0
[M]- 660.75175 290.0
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.