CID 6430450

7-methyl-pentatriacontane

Structural Information

Molecular Formula
C36H74
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCCC(C)CCCCCC
InChI
InChI=1S/C36H74/c1-4-6-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-33-35-36(3)34-32-9-7-5-2/h36H,4-35H2,1-3H3
InChIKey
MUVCANLRDMLDFD-UHFFFAOYSA-N
Compound name
7-methylpentatriacontane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

506.57904 Da
Monoisotopic Mass

19.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 507.58632 252.4
[M+Na]+ 529.56826 259.3
[M-H]- 505.57176 231.7
[M+NH4]+ 524.61286 250.0
[M+K]+ 545.54220 239.2
[M+H-H2O]+ 489.57630 242.5
[M+HCOO]- 551.57724 259.5
[M+CH3COO]- 565.59289 256.8
[M+Na-2H]- 527.55371 242.2
[M]+ 506.57849 254.8
[M]- 506.57959 254.8
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.