CID 60783468

2648961-62-8

Structural Information

Molecular Formula
C9H10BrN3
SMILES
CN1C2=C(C=C(C=C2)Br)N=C1CN
InChI
InChI=1S/C9H10BrN3/c1-13-8-3-2-6(10)4-7(8)12-9(13)5-11/h2-4H,5,11H2,1H3
InChIKey
SPDNDDKUZOMHNH-UHFFFAOYSA-N
Compound name
(5-bromo-1-methylbenzimidazol-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.00581 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.013086 143.0
[M+Na]+ 261.995028 157.7
[M-H]- 237.998534 148.3
[M+NH4]+ 257.039633 164.8
[M+K]+ 277.968968 145.6
[M+H-H2O]+ 222.003070 142.2
[M+HCOO]- 284.004011 165.0
[M+CH3COO]- 298.019661 158.7
[M+Na-2H]- 259.980476 150.9
[M]+ 239.00526142 162.9
[M]- 239.00635858 162.9
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.