CID 62625718

[1-(5-chloro-1h-1,3-benzodiazol-2-yl)ethyl](methyl)amine dihydrochloride

Structural Information

Molecular Formula
C10H12ClN3
SMILES
CC(C1=NC2=C(N1)C=C(C=C2)Cl)NC
InChI
InChI=1S/C10H12ClN3/c1-6(12-2)10-13-8-4-3-7(11)5-9(8)14-10/h3-6,12H,1-2H3,(H,13,14)
InChIKey
YUXAXRSHSXTJQR-UHFFFAOYSA-N
Compound name
1-(6-chloro-1H-benzimidazol-2-yl)-N-methylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.07198 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.07926 143.8
[M+Na]+ 232.06120 154.3
[M-H]- 208.06470 144.9
[M+NH4]+ 227.10580 163.3
[M+K]+ 248.03514 148.8
[M+H-H2O]+ 192.06924 137.4
[M+HCOO]- 254.07018 161.4
[M+CH3COO]- 268.08583 156.7
[M+Na-2H]- 230.04665 149.9
[M]+ 209.07143 145.6
[M]- 209.07253 145.6
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.