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]+ 225.002176 140.7
[M+Na]+ 246.984118 154.0
[M-H]- 222.987624 145.7
[M+NH4]+ 242.028723 163.3
[M+K]+ 262.958058 141.2
[M+H-H2O]+ 206.992160 140.6
[M+HCOO]- 268.993101 162.5
[M+CH3COO]- 283.008751 156.0
[M+Na-2H]- 244.969566 148.7
[M]+ 223.99435142 157.9
[M]- 223.99544858 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