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]+ 240.013086 143.4
[M+Na]+ 261.995028 156.7
[M-H]- 237.998534 147.0
[M+NH4]+ 257.039633 164.2
[M+K]+ 277.968968 143.8
[M+H-H2O]+ 222.003070 142.5
[M+HCOO]- 284.004011 164.0
[M+CH3COO]- 298.019661 158.1
[M+Na-2H]- 259.980476 151.6
[M]+ 239.00526142 161.2
[M]- 239.00635858 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.