CID 45026986

709665-73-6

Structural Information

Molecular Formula
C14H18BrNO4
SMILES
CC(C)(C)OC(=O)NC(C1=CC=C(C=C1)Br)C(=O)OC
InChI
InChI=1S/C14H18BrNO4/c1-14(2,3)20-13(18)16-11(12(17)19-4)9-5-7-10(15)8-6-9/h5-8,11H,1-4H3,(H,16,18)
InChIKey
WBOPTLASVNELEY-UHFFFAOYSA-N
Compound name
methyl 2-(4-bromophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

343.04193 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.04921 171.1
[M+Na]+ 366.03115 179.4
[M-H]- 342.03465 176.9
[M+NH4]+ 361.07575 187.9
[M+K]+ 382.00509 169.8
[M+H-H2O]+ 326.03919 169.7
[M+HCOO]- 388.04013 189.1
[M+CH3COO]- 402.05578 207.9
[M+Na-2H]- 364.01660 174.4
[M]+ 343.04138 192.1
[M]- 343.04248 192.1
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