CID 17095

1-tridecene

Structural Information

Molecular Formula
C13H26
SMILES
CCCCCCCCCCCC=C
InChI
InChI=1S/C13H26/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3H,1,4-13H2,2H3
InChIKey
VQOXUMQBYILCKR-UHFFFAOYSA-N
Compound name
tridec-1-ene
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

22
References

25454
Patents

182.20345 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.21073 149.0
[M+Na]+ 205.19267 153.6
[M-H]- 181.19617 148.1
[M+NH4]+ 200.23727 169.3
[M+K]+ 221.16661 151.1
[M+H-H2O]+ 165.20071 143.6
[M+HCOO]- 227.20165 170.7
[M+CH3COO]- 241.21730 187.8
[M+Na-2H]- 203.17812 152.5
[M]+ 182.20290 152.3
[M]- 182.20400 152.3
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