CID 101000671

Tert-butyl 3-amino-2-bromobenzoate

Structural Information

Molecular Formula
C11H14BrNO2
SMILES
CC(C)(C)OC(=O)C1=C(C(=CC=C1)N)Br
InChI
InChI=1S/C11H14BrNO2/c1-11(2,3)15-10(14)7-5-4-6-8(13)9(7)12/h4-6H,13H2,1-3H3
InChIKey
AWYHMKNMYOEWJY-UHFFFAOYSA-N
Compound name
tert-butyl 3-amino-2-bromobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.02078 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.02806 151.9
[M+Na]+ 294.01000 153.8
[M+NH4]+ 289.05460 155.7
[M+K]+ 309.98394 155.0
[M-H]- 270.01350 151.7
[M+Na-2H]- 291.99545 154.1
[M]+ 271.02023 150.8
[M]- 271.02133 150.8
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.