CID 42281504

339282-65-4

Structural Information

Molecular Formula
C9H9BrN2
SMILES
C1=CC2=C(C=C1Br)C(=CN2)CN
InChI
InChI=1S/C9H9BrN2/c10-7-1-2-9-8(3-7)6(4-11)5-12-9/h1-3,5,12H,4,11H2
InChIKey
KUDOCUCAZQEXDF-UHFFFAOYSA-N
Compound name
(5-bromo-1H-indol-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.9949 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.00218 143.5
[M+Na]+ 246.98412 147.0
[M+NH4]+ 242.02872 148.9
[M+K]+ 262.95806 147.7
[M-H]- 222.98762 144.4
[M+Na-2H]- 244.96957 146.6
[M]+ 223.99435 143.0
[M]- 223.99545 143.0
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.