CID 42281504

(5-bromo-1h-indol-3-yl)methanamine

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

1
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 140.7
[M+Na]+ 246.98412 154.0
[M-H]- 222.98762 145.7
[M+NH4]+ 242.02872 163.3
[M+K]+ 262.95806 141.2
[M+H-H2O]+ 206.99216 140.6
[M+HCOO]- 268.99310 162.5
[M+CH3COO]- 283.00875 156.0
[M+Na-2H]- 244.96957 148.7
[M]+ 223.99435 157.9
[M]- 223.99545 157.9
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

patents stripe