CID 3051530

67466-32-4

Structural Information

Molecular Formula

C₁₁H₁₄BrNO

SMILES

CC1CC(CN1)(C2=CC=C(C=C2)Br)O

InChI

InChI=1S/C11H14BrNO/c1-8-6-11(14,7-13-8)9-2-4-10(12)5-3-9/h2-5,8,13-14H,6-7H2,1H3

InChIKey

SRRSYUXYBSTEAW-UHFFFAOYSA-N

Compound name

3-(4-bromophenyl)-5-methylpyrrolidin-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 255.02588 Da
Monoisotopic Mass: 1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	256.033156	151.2
[M+Na]+	278.015098	162.0
[M-H]-	254.018604	156.8
[M+NH4]+	273.059703	173.0
[M+K]+	293.989038	149.8
[M+H-H2O]+	238.023140	151.8
[M+HCOO]-	300.024081	168.3
[M+CH3COO]-	314.039731	185.2
[M+Na-2H]-	276.000546	156.1
[M]+	255.02533142	165.6
[M]-	255.02642858	165.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe