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]+ 156.032296 126.7
[M+Na]+ 178.014238 139.1
[M-H]- 154.017744 127.3
[M+NH4]+ 173.058843 145.7
[M+K]+ 193.988178 135.5
[M+H-H2O]+ 138.022280 113.6
[M+HCOO]- 200.023221 142.2
[M+CH3COO]- 214.038871 188.0
[M+Na-2H]- 175.999686 131.9
[M]+ 155.02447142 124.0
[M]- 155.02556858 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.