CID 84071240

1446001-87-1

Structural Information

Molecular Formula

C₇H₇ClN₂O

SMILES

C1COC2=CN=C(C=C2N1)Cl

InChI

InChI=1S/C7H7ClN2O/c8-7-3-5-6(4-10-7)11-2-1-9-5/h3-4,9H,1-2H2

InChIKey

YRTCKHNUFOCIEP-UHFFFAOYSA-N

Compound name

7-chloro-2,3-dihydro-1H-pyrido[3,4-b][1,4]oxazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 170.02469 Da
Monoisotopic Mass: 1.5
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]+	171.03197	130.7
[M+Na]+	193.01391	139.7
[M-H]-	169.01741	131.3
[M+NH4]+	188.05851	148.2
[M+K]+	208.98785	136.4
[M+H-H2O]+	153.02195	124.2
[M+HCOO]-	215.02289	143.4
[M+CH3COO]-	229.03854	143.2
[M+Na-2H]-	190.99936	140.2
[M]+	170.02414	129.2
[M]-	170.02524	129.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe