CID 63554419

(5-bromo-1h-indol-2-yl)methanamine hydrochloride

Structural Information

Molecular Formula
C9H9BrN2
SMILES
C1=CC2=C(C=C1Br)C=C(N2)CN
InChI
InChI=1S/C9H9BrN2/c10-7-1-2-9-6(3-7)4-8(5-11)12-9/h1-4,12H,5,11H2
InChIKey
RDXURUGZGUGFNH-UHFFFAOYSA-N
Compound name
(5-bromo-1H-indol-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

223.9949 Da
Monoisotopic Mass

1.2
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

literature stripe

Patent stripe

patents stripe