CID 56936173

3,7,11-trimethyltritriacontane

Structural Information

Molecular Formula
C36H74
SMILES
CCCCCCCCCCCCCCCCCCCCCCC(C)CCCC(C)CCCC(C)CC
InChI
InChI=1S/C36H74/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-29-35(4)32-28-33-36(5)31-27-30-34(3)7-2/h34-36H,6-33H2,1-5H3
InChIKey
OMTPDENTDNKXRN-UHFFFAOYSA-N
Compound name
3,7,11-trimethyltritriacontane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

506.57904 Da
Monoisotopic Mass

18.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 507.58632 251.7
[M+Na]+ 529.56826 258.5
[M-H]- 505.57176 233.0
[M+NH4]+ 524.61286 251.5
[M+K]+ 545.54220 261.4
[M+H-H2O]+ 489.57630 245.3
[M+HCOO]- 551.57724 253.1
[M+CH3COO]- 565.59289 258.1
[M+Na-2H]- 527.55371 242.1
[M]+ 506.57849 253.0
[M]- 506.57959 253.0
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

patents stripe