CID 54857357

1212285-89-6

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: 31
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]+	118.086256	121.9
[M+Na]+	140.068198	128.8
[M-H]-	116.071704	125.6
[M+NH4]+	135.112803	144.4
[M+K]+	156.042138	129.9
[M+H-H2O]+	100.076240	116.9
[M+HCOO]-	162.077181	145.4
[M+CH3COO]-	176.092831	169.2
[M+Na-2H]-	138.053646	127.6
[M]+	117.07843142	120.2
[M]-	117.07952858	120.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe