CID 112756365

1803587-41-8

Structural Information

Molecular Formula
C15H20BrNO3
SMILES
CC(C)(C)OC(=O)NCC1(COC1)C2=CC=C(C=C2)Br
InChI
InChI=1S/C15H20BrNO3/c1-14(2,3)20-13(18)17-8-15(9-19-10-15)11-4-6-12(16)7-5-11/h4-7H,8-10H2,1-3H3,(H,17,18)
InChIKey
IHGNVKKBXUGWFC-UHFFFAOYSA-N
Compound name
tert-butyl N-[[3-(4-bromophenyl)oxetan-3-yl]methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

341.06265 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.06993 171.5
[M+Na]+ 364.05187 169.0
[M+NH4]+ 359.09647 172.6
[M+K]+ 380.02581 170.1
[M-H]- 340.05537 170.9
[M+Na-2H]- 362.03732 172.6
[M]+ 341.06210 168.9
[M]- 341.06320 168.9
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

patents stripe