CID 6430381

12,16-dimethyl-tetratriacontane

Structural Information

Molecular Formula
C36H74
SMILES
CCCCCCCCCCCCCCCCCCC(C)CCCC(C)CCCCCCCCCCC
InChI
InChI=1S/C36H74/c1-5-7-9-11-13-15-16-17-18-19-20-21-23-25-27-29-32-36(4)34-30-33-35(3)31-28-26-24-22-14-12-10-8-6-2/h35-36H,5-34H2,1-4H3
InChIKey
XJPRTPKOMOZZCM-UHFFFAOYSA-N
Compound name
12,16-dimethyltetratriacontane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

506.57904 Da
Monoisotopic Mass

19.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 507.58632 252.7
[M+Na]+ 529.56826 259.0
[M-H]- 505.57176 232.4
[M+NH4]+ 524.61286 250.8
[M+K]+ 545.54220 261.3
[M+H-H2O]+ 489.57630 244.1
[M+HCOO]- 551.57724 256.4
[M+CH3COO]- 565.59289 257.5
[M+Na-2H]- 527.55371 242.3
[M]+ 506.57849 253.9
[M]- 506.57959 253.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.