CID 10953443

1-methyl-1h-imidazole-2-carbonitrile

Structural Information

Molecular Formula
C5H5N3
SMILES
CN1C=CN=C1C#N
InChI
InChI=1S/C5H5N3/c1-8-3-2-7-5(8)4-6/h2-3H,1H3
InChIKey
VUHMRVLSRIYKKU-UHFFFAOYSA-N
Compound name
1-methylimidazole-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

166
Patents

107.04835 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 108.05563 116.1
[M+Na]+ 130.03757 127.3
[M-H]- 106.04107 116.8
[M+NH4]+ 125.08217 135.8
[M+K]+ 146.01151 125.9
[M+H-H2O]+ 90.045610 102.5
[M+HCOO]- 152.04655 136.2
[M+CH3COO]- 166.06220 180.9
[M+Na-2H]- 128.02302 123.0
[M]+ 107.04780 111.4
[M]- 107.04890 111.4
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