CID 56936157

13-methyl-1-tritriacontene

Structural Information

Molecular Formula
C34H68
SMILES
CCCCCCCCCCCCCCCCCCCCC(C)CCCCCCCCCCC=C
InChI
InChI=1S/C34H68/c1-4-6-8-10-12-14-16-17-18-19-20-21-22-23-25-27-29-31-33-34(3)32-30-28-26-24-15-13-11-9-7-5-2/h5,34H,2,4,6-33H2,1,3H3
InChIKey
UOBLLRYFTAYFDK-UHFFFAOYSA-N
Compound name
13-methyltritriacont-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

476.5321 Da
Monoisotopic Mass

18.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.53938 242.2
[M+Na]+ 499.52132 237.9
[M-H]- 475.52482 223.0
[M+NH4]+ 494.56592 240.2
[M+K]+ 515.49526 230.1
[M+H-H2O]+ 459.52936 232.8
[M+HCOO]- 521.53030 250.9
[M+CH3COO]- 535.54595 250.4
[M+Na-2H]- 497.50677 233.2
[M]+ 476.53155 244.7
[M]- 476.53265 244.7
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