CID 56936158

13-methylpentatriacontane

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

69
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

patents stripe