CID 43111947

(5-chloro-1-methyl-1h-imidazol-2-yl)methanamine dihydrochloride

Structural Information

Molecular Formula
C5H8ClN3
SMILES
CN1C(=CN=C1CN)Cl
InChI
InChI=1S/C5H8ClN3/c1-9-4(6)3-8-5(9)2-7/h3H,2,7H2,1H3
InChIKey
HGXDQNTVESNFNG-UHFFFAOYSA-N
Compound name
(5-chloro-1-methylimidazol-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

145.04068 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.04796 125.7
[M+Na]+ 168.02990 137.9
[M+NH4]+ 163.07450 134.1
[M+K]+ 184.00384 133.7
[M-H]- 144.03340 126.7
[M+Na-2H]- 166.01535 131.6
[M]+ 145.04013 127.8
[M]- 145.04123 127.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.