CID 54857357

Rac-(3r,4s)-4-methoxyoxolan-3-amine

Structural Information

Molecular Formula

C₅H₁₁NO₂

SMILES

CO[C@@H]1COC[C@H]1N

InChI

InChI=1S/C5H11NO2/c1-7-5-3-8-2-4(5)6/h4-5H,2-3,6H2,1H3/t4-,5-/m1/s1

InChIKey

NMZQNYFRBOGYLM-RFZPGFLSSA-N

Compound name

(3R,4S)-4-methoxyoxolan-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 117.07898 Da
Monoisotopic Mass: -1.1
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]+	118.08626	121.9
[M+Na]+	140.06820	128.8
[M-H]-	116.07170	125.6
[M+NH4]+	135.11280	144.4
[M+K]+	156.04214	129.9
[M+H-H2O]+	100.07624	116.9
[M+HCOO]-	162.07718	145.4
[M+CH3COO]-	176.09283	169.2
[M+Na-2H]-	138.05365	127.6
[M]+	117.07843	120.2
[M]-	117.07953	120.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe