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]+	194.017496	138.2
[M+Na]+	215.999438	148.3
[M-H]-	192.002944	146.0
[M+NH4]+	211.044043	161.9
[M+K]+	231.973378	140.8
[M+H-H2O]+	176.007480	138.2
[M+HCOO]-	238.008421	159.6
[M+CH3COO]-	252.024071	184.9
[M+Na-2H]-	213.984886	144.2
[M]+	193.00967142	156.0
[M]-	193.01076858	156.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.