CID 165739205

2309449-65-6

Structural Information

Molecular Formula
C15H20BrNO3
SMILES
CC(C)(C)OC(=O)N1CCC(C1)(C2=CC(=CC=C2)Br)O
InChI
InChI=1S/C15H20BrNO3/c1-14(2,3)20-13(18)17-8-7-15(19,10-17)11-5-4-6-12(16)9-11/h4-6,9,19H,7-8,10H2,1-3H3
InChIKey
ALNAXNKMMINSQW-UHFFFAOYSA-N
Compound name
tert-butyl 3-(3-bromophenyl)-3-hydroxypyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.06265 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.069926 173.4
[M+Na]+ 364.051868 183.2
[M-H]- 340.055374 180.1
[M+NH4]+ 359.096473 192.6
[M+K]+ 380.025808 172.6
[M+H-H2O]+ 324.059910 173.8
[M+HCOO]- 386.060851 188.8
[M+CH3COO]- 400.076501 201.2
[M+Na-2H]- 362.037316 176.8
[M]+ 341.06210142 191.7
[M]- 341.06319858 191.7
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

No patent data available for this compound.