CID 5248153

1092449-07-4

Structural Information

Molecular Formula
C12H14BrNO2
SMILES
COC(=O)C1(CCC2=C(C1)C=CC(=C2)Br)N
InChI
InChI=1S/C12H14BrNO2/c1-16-11(15)12(14)5-4-8-6-10(13)3-2-9(8)7-12/h2-3,6H,4-5,7,14H2,1H3
InChIKey
QHOPTKOHLMQTAQ-UHFFFAOYSA-N
Compound name
methyl 2-amino-6-bromo-3,4-dihydro-1H-naphthalene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

283.02078 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.02806 155.5
[M+Na]+ 306.01000 165.6
[M-H]- 282.01350 161.8
[M+NH4]+ 301.05460 177.3
[M+K]+ 321.98394 154.6
[M+H-H2O]+ 266.01804 155.6
[M+HCOO]- 328.01898 173.5
[M+CH3COO]- 342.03463 197.5
[M+Na-2H]- 303.99545 161.8
[M]+ 283.02023 171.9
[M]- 283.02133 171.9
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

patents stripe