CID 90380830

1780170-44-6

Structural Information

Molecular Formula

C₇H₁₁NO₂

SMILES

CC(C)C1=CN=C(O1)CO

InChI

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

InChIKey

YXYXTHFCLKIRBF-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 141.07898 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]+	142.086256	128.2
[M+Na]+	164.068198	136.6
[M-H]-	140.071704	130.1
[M+NH4]+	159.112803	148.5
[M+K]+	180.042138	136.8
[M+H-H2O]+	124.076240	122.7
[M+HCOO]-	186.077181	149.8
[M+CH3COO]-	200.092831	171.3
[M+Na-2H]-	162.053646	133.6
[M]+	141.07843142	129.9
[M]-	141.07952858	129.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe