CID 549159

3-eicosyne

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

278.29736 Da
Monoisotopic Mass

9.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.30464 169.2
[M+Na]+ 301.28658 174.1
[M-H]- 277.29008 167.1
[M+NH4]+ 296.33118 184.2
[M+K]+ 317.26052 169.1
[M+H-H2O]+ 261.29462 157.1
[M+HCOO]- 323.29556 183.7
[M+CH3COO]- 337.31121 212.1
[M+Na-2H]- 299.27203 169.5
[M]+ 278.29681 169.5
[M]- 278.29791 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