CID 137952216

Tert-butyl 4-bromo-2,2-dimethyl-3-oxopyrrolidine-1-carboxylate

Structural Information

Molecular Formula

C₁₁H₁₈BrNO₃

SMILES

CC1(C(=O)C(CN1C(=O)OC(C)(C)C)Br)C

InChI

InChI=1S/C11H18BrNO3/c1-10(2,3)16-9(15)13-6-7(12)8(14)11(13,4)5/h7H,6H2,1-5H3

InChIKey

VLVXCJCGRMMFTC-UHFFFAOYSA-N

Compound name

tert-butyl 4-bromo-2,2-dimethyl-3-oxopyrrolidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 291.047 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]+	292.054276	156.4
[M+Na]+	314.036218	168.6
[M-H]-	290.039724	161.9
[M+NH4]+	309.080823	178.9
[M+K]+	330.010158	159.0
[M+H-H2O]+	274.044260	158.3
[M+HCOO]-	336.045201	173.3
[M+CH3COO]-	350.060851	196.9
[M+Na-2H]-	312.021666	160.1
[M]+	291.04645142	177.0
[M]-	291.04754858	177.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.