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

3
Patents

341.06265 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.069926 165.6
[M+Na]+ 364.051868 172.7
[M-H]- 340.055374 174.5
[M+NH4]+ 359.096473 177.1
[M+K]+ 380.025808 166.8
[M+H-H2O]+ 324.059910 160.3
[M+HCOO]- 386.060851 182.4
[M+CH3COO]- 400.076501 208.9
[M+Na-2H]- 362.037316 172.5
[M]+ 341.06210142 193.4
[M]- 341.06319858 193.4
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