CID 25220768

(5-isopropylisoxazol-3-yl)methanol

Structural Information

Molecular Formula

C₇H₁₁NO₂

SMILES

CC(C)C1=CC(=NO1)CO

InChI

InChI=1S/C7H11NO2/c1-5(2)7-3-6(4-9)8-10-7/h3,5,9H,4H2,1-2H3

InChIKey

FUQOVKGUDYTDCX-UHFFFAOYSA-N

Compound name

(5-propan-2-yl-1,2-oxazol-3-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 37
Patents: 141.07898 Da
Monoisotopic Mass: 0.7
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]+	142.08626	128.2
[M+Na]+	164.06820	139.3
[M+NH4]+	159.11280	135.9
[M+K]+	180.04214	136.9
[M-H]-	140.07170	129.5
[M+Na-2H]-	162.05365	132.5
[M]+	141.07843	130.0
[M]-	141.07953	130.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe