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]+ 176.11823 137.2
[M+Na]+ 198.10017 146.1
[M-H]- 174.10367 137.8
[M+NH4]+ 193.14477 156.7
[M+K]+ 214.07411 142.0
[M+H-H2O]+ 158.10821 130.2
[M+HCOO]- 220.10915 158.9
[M+CH3COO]- 234.12480 150.0
[M+Na-2H]- 196.08562 143.6
[M]+ 175.11040 135.8
[M]- 175.11150 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.