CID 210617

21440-99-3

Structural Information

Molecular Formula

C₁₁H₁₃NO₃

SMILES

CC1(C2=C(C(=CC=C2)OC)NC(=O)O1)C

InChI

InChI=1S/C11H13NO3/c1-11(2)7-5-4-6-8(14-3)9(7)12-10(13)15-11/h4-6H,1-3H3,(H,12,13)

InChIKey

NIZXOVYCLLXMQN-UHFFFAOYSA-N

Compound name

8-methoxy-4,4-dimethyl-1H-3,1-benzoxazin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 41
Patents: 207.08954 Da
Monoisotopic Mass: 1.6
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]+	208.096816	142.6
[M+Na]+	230.078758	152.3
[M-H]-	206.082264	145.7
[M+NH4]+	225.123363	161.9
[M+K]+	246.052698	150.8
[M+H-H2O]+	190.086800	136.8
[M+HCOO]-	252.087741	160.7
[M+CH3COO]-	266.103391	183.9
[M+Na-2H]-	228.064206	150.6
[M]+	207.08899142	143.7
[M]-	207.09008858	143.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe