CID 54593310

6-bromo-2,3-dihydro-1h-isoindol-5-amine

Structural Information

Molecular Formula
C8H9BrN2
SMILES
C1C2=CC(=C(C=C2CN1)Br)N
InChI
InChI=1S/C8H9BrN2/c9-7-1-5-3-11-4-6(5)2-8(7)10/h1-2,11H,3-4,10H2
InChIKey
WZLBPYWHULGMJR-UHFFFAOYSA-N
Compound name
6-bromo-2,3-dihydro-1H-isoindol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.9949 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.002176 139.7
[M+Na]+ 234.984118 151.5
[M-H]- 210.987624 144.1
[M+NH4]+ 230.028723 162.5
[M+K]+ 250.958058 139.2
[M+H-H2O]+ 194.992160 139.7
[M+HCOO]- 256.993101 159.0
[M+CH3COO]- 271.008751 154.3
[M+Na-2H]- 232.969566 146.3
[M]+ 211.99435142 153.9
[M]- 211.99544858 153.9
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.