CID 154809637

2551119-95-8

Structural Information

Molecular Formula

C₁₀H₁₆BrNO₂

SMILES

CC(C)(C)OC(=O)N1CC=CC1CBr

InChI

InChI=1S/C10H16BrNO2/c1-10(2,3)14-9(13)12-6-4-5-8(12)7-11/h4-5,8H,6-7H2,1-3H3

InChIKey

XONJMZIBVGCMIR-UHFFFAOYSA-N

Compound name

tert-butyl 2-(bromomethyl)-2,5-dihydropyrrole-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 261.03644 Da
Monoisotopic Mass: 2.1
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]+	262.043716	155.3
[M+Na]+	284.025658	166.2
[M-H]-	260.029164	160.3
[M+NH4]+	279.070263	176.6
[M+K]+	299.999598	156.4
[M+H-H2O]+	244.033700	155.5
[M+HCOO]-	306.034641	173.4
[M+CH3COO]-	320.050291	190.8
[M+Na-2H]-	282.011106	159.5
[M]+	261.03589142	175.0
[M]-	261.03698858	175.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.