CID 58229876

1822856-28-9

Structural Information

Molecular Formula
C15H20BrNO3
SMILES
CC(C)(C)OC(=O)NC1(CC(C1)O)C2=CC=C(C=C2)Br
InChI
InChI=1S/C15H20BrNO3/c1-14(2,3)20-13(19)17-15(8-12(18)9-15)10-4-6-11(16)7-5-10/h4-7,12,18H,8-9H2,1-3H3,(H,17,19)
InChIKey
AKAFCOGYGDWCPA-UHFFFAOYSA-N
Compound name
tert-butyl N-[1-(4-bromophenyl)-3-hydroxycyclobutyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

341.06265 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.06993 173.0
[M+Na]+ 364.05187 170.0
[M+NH4]+ 359.09647 173.9
[M+K]+ 380.02581 171.2
[M-H]- 340.05537 170.9
[M+Na-2H]- 362.03732 173.7
[M]+ 341.06210 169.9
[M]- 341.06320 169.9
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