CID 140316132

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

Structural Information

Molecular Formula
C10H13N3
SMILES
C[C@@H](CC1=NC2=CC=CC=C2N1)N
InChI
InChI=1S/C10H13N3/c1-7(11)6-10-12-8-4-2-3-5-9(8)13-10/h2-5,7H,6,11H2,1H3,(H,12,13)/t7-/m0/s1
InChIKey
KYHAXGWCKRIWRF-ZETCQYMHSA-N
Compound name
(2S)-1-(1H-benzimidazol-2-yl)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.11095 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.118226 137.2
[M+Na]+ 198.100168 146.1
[M-H]- 174.103674 137.8
[M+NH4]+ 193.144773 156.7
[M+K]+ 214.074108 142.0
[M+H-H2O]+ 158.108210 130.2
[M+HCOO]- 220.109151 158.9
[M+CH3COO]- 234.124801 150.0
[M+Na-2H]- 196.085616 143.6
[M]+ 175.11040142 135.8
[M]- 175.11149858 135.8
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.