CID 56936149

13,17-dimethyl-1-tritriacontene

Structural Information

Molecular Formula
C35H70
SMILES
CCCCCCCCCCCCCCCCC(C)CCCC(C)CCCCCCCCCCC=C
InChI
InChI=1S/C35H70/c1-5-7-9-11-13-15-17-18-19-20-22-24-26-28-31-35(4)33-29-32-34(3)30-27-25-23-21-16-14-12-10-8-6-2/h6,34-35H,2,5,7-33H2,1,3-4H3
InChIKey
QJUBWUZGEIQQCQ-UHFFFAOYSA-N
Compound name
13,17-dimethyltritriacont-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

490.54776 Da
Monoisotopic Mass

18.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.55504 247.7
[M+Na]+ 513.53698 253.1
[M-H]- 489.54048 226.9
[M+NH4]+ 508.58158 244.5
[M+K]+ 529.51092 235.2
[M+H-H2O]+ 473.54502 238.3
[M+HCOO]- 535.54596 250.9
[M+CH3COO]- 549.56161 253.9
[M+Na-2H]- 511.52243 236.8
[M]+ 490.54721 247.3
[M]- 490.54831 247.3
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