CID 12311506

2-(5-chloro-1-methyl-1h-imidazol-2-yl)acetonitrile

Structural Information

Molecular Formula
C6H6ClN3
SMILES
CN1C(=CN=C1CC#N)Cl
InChI
InChI=1S/C6H6ClN3/c1-10-5(7)4-9-6(10)2-3-8/h4H,2H2,1H3
InChIKey
OBETXBFHKKKVMT-UHFFFAOYSA-N
Compound name
2-(5-chloro-1-methylimidazol-2-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.02502 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.03230 126.7
[M+Na]+ 178.01424 139.1
[M-H]- 154.01774 127.3
[M+NH4]+ 173.05884 145.7
[M+K]+ 193.98818 135.5
[M+H-H2O]+ 138.02228 113.6
[M+HCOO]- 200.02322 142.2
[M+CH3COO]- 214.03887 188.0
[M+Na-2H]- 175.99969 131.9
[M]+ 155.02447 124.0
[M]- 155.02557 124.0
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

No patent data available for this compound.