CID 45880

1-naphthylamine, 8-bromo-5-methoxy-1,2,3,4-tetrahydro-, hydrochloride

Structural Information

Molecular Formula
C11H14BrNO
SMILES
COC1=C2CCCC(C2=C(C=C1)Br)N
InChI
InChI=1S/C11H14BrNO/c1-14-10-6-5-8(12)11-7(10)3-2-4-9(11)13/h5-6,9H,2-4,13H2,1H3
InChIKey
IIMYWWNVBVAORW-UHFFFAOYSA-N
Compound name
8-bromo-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.02588 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.03316 150.1
[M+Na]+ 278.01510 160.6
[M-H]- 254.01860 156.5
[M+NH4]+ 273.05970 171.5
[M+K]+ 293.98904 149.2
[M+H-H2O]+ 238.02314 149.7
[M+HCOO]- 300.02408 168.9
[M+CH3COO]- 314.03973 194.8
[M+Na-2H]- 276.00055 156.2
[M]+ 255.02533 166.0
[M]- 255.02643 166.0
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.