CID 65527900

[(2-butyl-5-chloro-1h-imidazol-4-yl)methyl](methyl)amine dihydrochloride

Structural Information

Molecular Formula
C9H16ClN3
SMILES
CCCCC1=NC(=C(N1)CNC)Cl
InChI
InChI=1S/C9H16ClN3/c1-3-4-5-8-12-7(6-11-2)9(10)13-8/h11H,3-6H2,1-2H3,(H,12,13)
InChIKey
BZQHCOUWZLZILI-UHFFFAOYSA-N
Compound name
1-(2-butyl-4-chloro-1H-imidazol-5-yl)-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.10327 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.11055 145.9
[M+Na]+ 224.09249 154.4
[M-H]- 200.09599 145.3
[M+NH4]+ 219.13709 164.5
[M+K]+ 240.06643 149.6
[M+H-H2O]+ 184.10053 139.2
[M+HCOO]- 246.10147 163.3
[M+CH3COO]- 260.11712 185.1
[M+Na-2H]- 222.07794 149.4
[M]+ 201.10272 147.2
[M]- 201.10382 147.2
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.