CID 25218858

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

Structural Information

Molecular Formula
C10H12ClN3
SMILES
C1=CC2=C(C=C1Cl)NC(=N2)CCCN
InChI
InChI=1S/C10H12ClN3/c11-7-3-4-8-9(6-7)14-10(13-8)2-1-5-12/h3-4,6H,1-2,5,12H2,(H,13,14)
InChIKey
AUWKJRWGANKURK-UHFFFAOYSA-N
Compound name
3-(6-chloro-1H-benzimidazol-2-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.07198 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.079256 143.7
[M+Na]+ 232.061198 154.5
[M-H]- 208.064704 144.2
[M+NH4]+ 227.105803 163.0
[M+K]+ 248.035138 148.1
[M+H-H2O]+ 192.069240 137.2
[M+HCOO]- 254.070181 161.7
[M+CH3COO]- 268.085831 156.4
[M+Na-2H]- 230.046646 149.9
[M]+ 209.07143142 145.1
[M]- 209.07252858 145.1
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

No patent data available for this compound.