CID 58229876

Tert-butyl n-[(1s,3s)-1-(4-bromophenyl)-3-hydroxycyclobutyl]carbamate

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 167.4
[M+Na]+ 364.05187 174.7
[M-H]- 340.05537 174.7
[M+NH4]+ 359.09647 179.6
[M+K]+ 380.02581 167.1
[M+H-H2O]+ 324.05991 162.3
[M+HCOO]- 386.06085 183.5
[M+CH3COO]- 400.07650 207.7
[M+Na-2H]- 362.03732 172.2
[M]+ 341.06210 193.2
[M]- 341.06320 193.2
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