CID 24252558

1-(5-chloro-1h-1,3-benzodiazol-2-yl)ethan-1-amine dihydrochloride

Structural Information

Molecular Formula
C9H10ClN3
SMILES
CC(C1=NC2=C(N1)C=C(C=C2)Cl)N
InChI
InChI=1S/C9H10ClN3/c1-5(11)9-12-7-3-2-6(10)4-8(7)13-9/h2-5H,11H2,1H3,(H,12,13)
InChIKey
CJBPHHBATSLCHJ-UHFFFAOYSA-N
Compound name
1-(6-chloro-1H-benzimidazol-2-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

195.05632 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.06360 139.6
[M+Na]+ 218.04554 150.5
[M-H]- 194.04904 140.4
[M+NH4]+ 213.09014 159.3
[M+K]+ 234.01948 144.9
[M+H-H2O]+ 178.05358 133.4
[M+HCOO]- 240.05452 156.9
[M+CH3COO]- 254.07017 152.6
[M+Na-2H]- 216.03099 145.1
[M]+ 195.05577 140.1
[M]- 195.05687 140.1
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

patents stripe