CID 557014

5-eicosyne

Structural Information

Molecular Formula
C20H38
SMILES
CCCCCCCCCCCCCCC#CCCCC
InChI
InChI=1S/C20H38/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h3-9,11,13-20H2,1-2H3
InChIKey
ZPJDHJXVUOPHKD-UHFFFAOYSA-N
Compound name
icos-5-yne
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

278.29736 Da
Monoisotopic Mass

9.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.304636 169.2
[M+Na]+ 301.286578 174.1
[M-H]- 277.290084 167.1
[M+NH4]+ 296.331183 184.2
[M+K]+ 317.260518 169.1
[M+H-H2O]+ 261.294620 157.1
[M+HCOO]- 323.295561 183.7
[M+CH3COO]- 337.311211 212.1
[M+Na-2H]- 299.272026 169.5
[M]+ 278.29681142 169.5
[M]- 278.29790858 169.5
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