CID 69823

1-tetradecyne

Structural Information

Molecular Formula
C14H26
SMILES
CCCCCCCCCCCCC#C
InChI
InChI=1S/C14H26/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h1H,4-14H2,2H3
InChIKey
DZEFNRWGWQDGTR-UHFFFAOYSA-N
Compound name
tetradec-1-yne
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

2343
Patents

194.20345 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.21073 145.3
[M+Na]+ 217.19267 152.3
[M-H]- 193.19617 144.1
[M+NH4]+ 212.23727 163.2
[M+K]+ 233.16661 148.8
[M+H-H2O]+ 177.20071 134.2
[M+HCOO]- 239.20165 161.5
[M+CH3COO]- 253.21730 197.3
[M+Na-2H]- 215.17812 148.5
[M]+ 194.20290 143.7
[M]- 194.20400 143.7
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