CID 41504

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

Structural Information

Molecular Formula
C9H11N3
SMILES
C1=CC=C2C(=C1)N=CN2CCN
InChI
InChI=1S/C9H11N3/c10-5-6-12-7-11-8-3-1-2-4-9(8)12/h1-4,7H,5-6,10H2
InChIKey
LXZGUUDIJIOTJB-UHFFFAOYSA-N
Compound name
2-(benzimidazol-1-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

163
Patents

161.09529 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.102566 131.3
[M+Na]+ 184.084508 141.4
[M-H]- 160.088014 133.3
[M+NH4]+ 179.129113 152.2
[M+K]+ 200.058448 138.0
[M+H-H2O]+ 144.092550 124.1
[M+HCOO]- 206.093491 156.0
[M+CH3COO]- 220.109141 145.4
[M+Na-2H]- 182.069956 140.0
[M]+ 161.09474142 132.0
[M]- 161.09583858 132.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe