CID 14983612

3-(1h-imidazol-4-yl)propanenitrile hydrochloride

Structural Information

Molecular Formula
C6H7N3
SMILES
C1=C(NC=N1)CCC#N
InChI
InChI=1S/C6H7N3/c7-3-1-2-6-4-8-5-9-6/h4-5H,1-2H2,(H,8,9)
InChIKey
YKQYRFMFIZBNIN-UHFFFAOYSA-N
Compound name
3-(1H-imidazol-5-yl)propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

121.063995 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.07127 126.2
[M+Na]+ 144.05321 137.0
[M+NH4]+ 139.09782 130.7
[M+K]+ 160.02715 129.8
[M-H]- 120.05672 119.1
[M+Na-2H]- 142.03866 129.6
[M]+ 121.06345 124.7
[M]- 121.06454 124.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe