CID 30875

1,13-tetradecadiene

Structural Information

Molecular Formula
C14H26
SMILES
C=CCCCCCCCCCCC=C
InChI
InChI=1S/C14H26/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-4H,1-2,5-14H2
InChIKey
XMRSTLBCBDIKFI-UHFFFAOYSA-N
Compound name
tetradeca-1,13-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5598
Patents

194.20345 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.210726 151.8
[M+Na]+ 217.192668 156.3
[M-H]- 193.196174 150.8
[M+NH4]+ 212.237273 171.5
[M+K]+ 233.166608 152.9
[M+H-H2O]+ 177.200710 146.4
[M+HCOO]- 239.201651 173.4
[M+CH3COO]- 253.217301 189.9
[M+Na-2H]- 215.178116 154.8
[M]+ 194.20290142 154.8
[M]- 194.20399858 154.8
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