CID 5364435

Tridecene

Structural Information

Molecular Formula
C13H26
SMILES
CCCCCCCCCC/C=C/C
InChI
InChI=1S/C13H26/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3,5H,4,6-13H2,1-2H3/b5-3+
InChIKey
XWVHBWQEYOROBE-HWKANZROSA-N
Compound name
(E)-tridec-2-ene
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

11
References

1089
Patents

182.20345 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.210726 149.2
[M+Na]+ 205.192668 153.9
[M-H]- 181.196174 148.4
[M+NH4]+ 200.237273 169.6
[M+K]+ 221.166608 151.4
[M+H-H2O]+ 165.200710 143.9
[M+HCOO]- 227.201651 170.9
[M+CH3COO]- 241.217301 187.1
[M+Na-2H]- 203.178116 152.7
[M]+ 182.20290142 152.4
[M]- 182.20399858 152.4
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