CID 30887

21977-36-6

Structural Information

Molecular Formula

C₉H₁₀ClNO

SMILES

CN1CC2=C(CO1)C=CC(=C2)Cl

InChI

InChI=1S/C9H10ClNO/c1-11-5-8-4-9(10)3-2-7(8)6-12-11/h2-4H,5-6H2,1H3

InChIKey

GUSWHRCHZVQFKH-UHFFFAOYSA-N

Compound name

6-chloro-3-methyl-1,4-dihydro-2,3-benzoxazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 183.04509 Da
Monoisotopic Mass: 2.0
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]+	184.05237	134.4
[M+Na]+	206.03431	149.9
[M+NH4]+	201.07891	144.7
[M+K]+	222.00825	142.2
[M-H]-	182.03781	138.8
[M+Na-2H]-	204.01976	141.3
[M]+	183.04454	138.3
[M]-	183.04564	138.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.