CID 25220768

123770-63-8

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: 38
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	136.6
[M-H]-	140.07170	130.1
[M+NH4]+	159.11280	148.5
[M+K]+	180.04214	136.8
[M+H-H2O]+	124.07624	122.7
[M+HCOO]-	186.07718	149.8
[M+CH3COO]-	200.09283	171.3
[M+Na-2H]-	162.05365	133.6
[M]+	141.07843	129.9
[M]-	141.07953	129.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe