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

5
Patents

341.06265 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.069926 167.4
[M+Na]+ 364.051868 174.7
[M-H]- 340.055374 174.7
[M+NH4]+ 359.096473 179.6
[M+K]+ 380.025808 167.1
[M+H-H2O]+ 324.059910 162.3
[M+HCOO]- 386.060851 183.5
[M+CH3COO]- 400.076501 207.7
[M+Na-2H]- 362.037316 172.2
[M]+ 341.06210142 193.2
[M]- 341.06319858 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