CID 138039780

2241140-80-5

Structural Information

Molecular Formula

C₆H₁₂BrNO

SMILES

CN(C)[C@@H]1COC[C@H]1Br

InChI

InChI=1S/C6H12BrNO/c1-8(2)6-4-9-3-5(6)7/h5-6H,3-4H2,1-2H3/t5-,6-/m1/s1

InChIKey

GWIYJJBRNZEKKP-PHDIDXHHSA-N

Compound name

(3R,4S)-4-bromo-N,N-dimethyloxolan-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 193.01022 Da
Monoisotopic Mass: 0.8
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]+	194.01750	137.9
[M+Na]+	215.99944	138.6
[M+NH4]+	211.04404	143.2
[M+K]+	231.97338	141.1
[M-H]-	192.00294	139.6
[M+Na-2H]-	213.98489	139.1
[M]+	193.00967	137.1
[M]-	193.01077	137.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.