CID 141979

7-tetradecyne

Structural Information

Molecular Formula
C14H26
SMILES
CCCCCCC#CCCCCCC
InChI
InChI=1S/C14H26/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-12H2,1-2H3
InChIKey
AFNWSIIBAYUTTL-UHFFFAOYSA-N
Compound name
tetradec-7-yne
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

78
Patents

194.20345 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.21073 146.0
[M+Na]+ 217.19267 153.1
[M-H]- 193.19617 144.9
[M+NH4]+ 212.23727 164.0
[M+K]+ 233.16661 149.6
[M+H-H2O]+ 177.20071 134.9
[M+HCOO]- 239.20165 162.2
[M+CH3COO]- 253.21730 196.1
[M+Na-2H]- 215.17812 149.1
[M]+ 194.20290 144.2
[M]- 194.20400 144.2
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