CID 25219499

(3-isopropyl-1,2,4-oxadiazol-5-yl)methanol

Structural Information

Molecular Formula

C₆H₁₀N₂O₂

SMILES

CC(C)C1=NOC(=N1)CO

InChI

InChI=1S/C6H10N2O2/c1-4(2)6-7-5(3-9)10-8-6/h4,9H,3H2,1-2H3

InChIKey

PQDUJWGQTSTVOA-UHFFFAOYSA-N

Compound name

(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 142.07423 Da
Monoisotopic Mass: 0.5
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]+	143.08151	128.2
[M+Na]+	165.06345	139.2
[M+NH4]+	160.10805	135.2
[M+K]+	181.03739	137.3
[M-H]-	141.06695	128.6
[M+Na-2H]-	163.04890	132.2
[M]+	142.07368	129.6
[M]-	142.07478	129.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe