CID 12591942

1-(prop-2-yn-1-yl)-1h-imidazole hydrochloride

Structural Information

Molecular Formula
C6H6N2
SMILES
C#CCN1C=CN=C1
InChI
InChI=1S/C6H6N2/c1-2-4-8-5-3-7-6-8/h1,3,5-6H,4H2
InChIKey
UGOQKSGJGCADAG-UHFFFAOYSA-N
Compound name
1-prop-2-ynylimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

201
Patents

106.0531 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 107.06038 117.3
[M+Na]+ 129.04232 128.0
[M-H]- 105.04582 116.4
[M+NH4]+ 124.08692 136.6
[M+K]+ 145.01626 125.4
[M+H-H2O]+ 89.050360 104.0
[M+HCOO]- 151.05130 134.9
[M+CH3COO]- 165.06695 176.0
[M+Na-2H]- 127.02777 123.7
[M]+ 106.05255 111.6
[M]- 106.05365 111.6
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