CID 129970221

5-bromo-7-methoxy-2,3-dihydro-1h-inden-1-amine hydrochloride

Structural Information

Molecular Formula
C10H12BrNO
SMILES
COC1=CC(=CC2=C1C(CC2)N)Br
InChI
InChI=1S/C10H12BrNO/c1-13-9-5-7(11)4-6-2-3-8(12)10(6)9/h4-5,8H,2-3,12H2,1H3
InChIKey
KLMGMEMNUFVQEV-UHFFFAOYSA-N
Compound name
5-bromo-7-methoxy-2,3-dihydro-1H-inden-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

241.01022 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.01750 148.1
[M+Na]+ 263.99944 160.2
[M-H]- 240.00294 155.1
[M+NH4]+ 259.04404 171.9
[M+K]+ 279.97338 148.8
[M+H-H2O]+ 224.00748 148.3
[M+HCOO]- 286.00842 169.4
[M+CH3COO]- 300.02407 191.6
[M+Na-2H]- 261.98489 153.3
[M]+ 241.00967 165.7
[M]- 241.01077 165.7
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