CID 15260211

51850-60-3

Structural Information

Molecular Formula

C₆H₄ClN₃O

SMILES

CC1=NOC2=C1C(=NC=N2)Cl

InChI

InChI=1S/C6H4ClN3O/c1-3-4-5(7)8-2-9-6(4)11-10-3/h2H,1H3

InChIKey

OWGFMVBNTYVMEO-UHFFFAOYSA-N

Compound name

4-chloro-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 169.00429 Da
Monoisotopic Mass: 1.7
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]+	170.011566	128.0
[M+Na]+	191.993508	141.8
[M-H]-	167.997014	130.0
[M+NH4]+	187.038113	147.4
[M+K]+	207.967448	139.1
[M+H-H2O]+	152.001550	121.1
[M+HCOO]-	214.002491	146.1
[M+CH3COO]-	228.018141	143.1
[M+Na-2H]-	189.978956	137.7
[M]+	169.00374142	133.8
[M]-	169.00483858	133.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe