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

11
Patents

241.01022 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.017496 148.1
[M+Na]+ 263.999438 160.2
[M-H]- 240.002944 155.1
[M+NH4]+ 259.044043 171.9
[M+K]+ 279.973378 148.8
[M+H-H2O]+ 224.007480 148.3
[M+HCOO]- 286.008421 169.4
[M+CH3COO]- 300.024071 191.6
[M+Na-2H]- 261.984886 153.3
[M]+ 241.00967142 165.7
[M]- 241.01076858 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