CID 72681196

887913-68-0

Structural Information

Molecular Formula
C15H20BrNO4
SMILES
CC(C)(C)OC(=O)NC(C)(C1=CC(=CC=C1)Br)C(=O)OC
InChI
InChI=1S/C15H20BrNO4/c1-14(2,3)21-13(19)17-15(4,12(18)20-5)10-7-6-8-11(16)9-10/h6-9H,1-5H3,(H,17,19)
InChIKey
BNIAMYBAFNIUOA-UHFFFAOYSA-N
Compound name
methyl 2-(3-bromophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.05756 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.06484 171.5
[M+Na]+ 380.04678 171.2
[M+NH4]+ 375.09138 173.3
[M+K]+ 396.02072 174.0
[M-H]- 356.05028 169.5
[M+Na-2H]- 378.03223 172.2
[M]+ 357.05701 169.5
[M]- 357.05811 169.5
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.