CID 19877953

5-chloro-1-methyl-1h-imidazole-2-carbonitrile

Structural Information

Molecular Formula
C5H4ClN3
SMILES
CN1C(=CN=C1C#N)Cl
InChI
InChI=1S/C5H4ClN3/c1-9-4(6)3-8-5(9)2-7/h3H,1H3
InChIKey
JIMYOSLIZVTOTM-UHFFFAOYSA-N
Compound name
5-chloro-1-methylimidazole-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

141.00937 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.016646 122.7
[M+Na]+ 163.998588 135.5
[M-H]- 140.002094 123.5
[M+NH4]+ 159.043193 142.2
[M+K]+ 179.972528 132.2
[M+H-H2O]+ 124.006630 109.7
[M+HCOO]- 186.007571 138.5
[M+CH3COO]- 200.023221 185.3
[M+Na-2H]- 161.984036 128.4
[M]+ 141.00882142 119.7
[M]- 141.00991858 119.7
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