CID 14207546

2-(1h-imidazol-2-yl)acetonitrile

Structural Information

Molecular Formula
C5H5N3
SMILES
C1=CN=C(N1)CC#N
InChI
InChI=1S/C5H5N3/c6-2-1-5-7-3-4-8-5/h3-4H,1H2,(H,7,8)
InChIKey
BOIZRKNKILSBTB-UHFFFAOYSA-N
Compound name
2-(1H-imidazol-2-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

137
Patents

107.04835 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 108.05563 118.0
[M+Na]+ 130.03757 128.0
[M-H]- 106.04107 117.1
[M+NH4]+ 125.08217 136.8
[M+K]+ 146.01151 125.8
[M+H-H2O]+ 90.045610 104.3
[M+HCOO]- 152.04655 136.7
[M+CH3COO]- 166.06220 177.5
[M+Na-2H]- 128.02302 125.0
[M]+ 107.04780 111.2
[M]- 107.04890 111.2
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