CID 135905989

19385-59-2

Structural Information

Molecular Formula

C₈H₈N₂O₂

SMILES

CC1=CC(=O)C2=C(N1)ON=C2C

InChI

InChI=1S/C8H8N2O2/c1-4-3-6(11)7-5(2)10-12-8(7)9-4/h3H,1-2H3,(H,9,11)

InChIKey

IVRLAZKRKFPZLL-UHFFFAOYSA-N

Compound name

3,6-dimethyl-7H-[1,2]oxazolo[5,4-b]pyridin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 164.05858 Da
Monoisotopic Mass: 1.1
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]+	165.06586	129.1
[M+Na]+	187.04780	142.2
[M-H]-	163.05130	131.9
[M+NH4]+	182.09240	148.9
[M+K]+	203.02174	139.8
[M+H-H2O]+	147.05584	123.2
[M+HCOO]-	209.05678	151.7
[M+CH3COO]-	223.07243	144.3
[M+Na-2H]-	185.03325	137.4
[M]+	164.05803	132.8
[M]-	164.05913	132.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe