CID 71437029

4507-68-0

Structural Information

Molecular Formula
C9H10BrN3
SMILES
C1=CC2=C(C(=C1)Br)N=C(N2)CCN
InChI
InChI=1S/C9H10BrN3/c10-6-2-1-3-7-9(6)13-8(12-7)4-5-11/h1-3H,4-5,11H2,(H,12,13)
InChIKey
UOTQOYUBCRMCPK-UHFFFAOYSA-N
Compound name
2-(4-bromo-1H-benzimidazol-2-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.00581 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.01309 143.4
[M+Na]+ 261.99503 156.7
[M-H]- 237.99853 147.0
[M+NH4]+ 257.03963 164.2
[M+K]+ 277.96897 143.8
[M+H-H2O]+ 222.00307 142.5
[M+HCOO]- 284.00401 164.0
[M+CH3COO]- 298.01966 158.1
[M+Na-2H]- 259.98048 151.6
[M]+ 239.00526 161.2
[M]- 239.00636 161.2
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.