CID 131288073

2694745-20-3

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 156.1
[M+Na]+ 306.01000 154.5
[M+NH4]+ 301.05460 158.3
[M+K]+ 321.98394 154.9
[M-H]- 282.01350 155.4
[M+Na-2H]- 303.99545 158.2
[M]+ 283.02023 153.6
[M]- 283.02133 153.6
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.