CID 106938641

4-(aminooxy)butan-2-ol

Structural Information

Molecular Formula

C₄H₁₁NO₂

SMILES

CC(CCON)O

InChI

InChI=1S/C4H11NO2/c1-4(6)2-3-7-5/h4,6H,2-3,5H2,1H3

InChIKey

LBHXARWFQRDSPZ-UHFFFAOYSA-N

Compound name

4-aminooxybutan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 105.07898 Da
Monoisotopic Mass: -0.6
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]+	106.08626	121.4
[M+Na]+	128.06820	127.8
[M-H]-	104.07170	120.0
[M+NH4]+	123.11280	143.2
[M+K]+	144.04214	128.1
[M+H-H2O]+	88.076240	116.8
[M+HCOO]-	150.07718	144.1
[M+CH3COO]-	164.09283	167.4
[M+Na-2H]-	126.05365	126.7
[M]+	105.07843	120.3
[M]-	105.07953	120.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe