CID 131288073

Methyl 1-amino-3-(2-bromophenyl)cyclobutane-1-carboxylate hydrochloride

Structural Information

Molecular Formula
C12H14BrNO2
SMILES
COC(=O)C1(CC(C1)C2=CC=CC=C2Br)N
InChI
InChI=1S/C12H14BrNO2/c1-16-11(15)12(14)6-8(7-12)9-4-2-3-5-10(9)13/h2-5,8H,6-7,14H2,1H3
InChIKey
JAIDSAYCGKZZNG-UHFFFAOYSA-N
Compound name
methyl 1-amino-3-(2-bromophenyl)cyclobutane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.02078 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.02806 149.9
[M+Na]+ 306.01000 158.7
[M-H]- 282.01350 158.4
[M+NH4]+ 301.05460 164.6
[M+K]+ 321.98394 151.1
[M+H-H2O]+ 266.01804 144.8
[M+HCOO]- 328.01898 169.1
[M+CH3COO]- 342.03463 200.2
[M+Na-2H]- 303.99545 155.0
[M]+ 283.02023 174.9
[M]- 283.02133 174.9
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.