CID 10584248

205818-52-6

Structural Information

Molecular Formula

C₁₁H₁₀N₂O₂

SMILES

CC1(C(=O)NC2=C(O1)C=CC(=C2)C#N)C

InChI

InChI=1S/C11H10N2O2/c1-11(2)10(14)13-8-5-7(6-12)3-4-9(8)15-11/h3-5H,1-2H3,(H,13,14)

InChIKey

KEFFHGHKFDZMSO-UHFFFAOYSA-N

Compound name

2,2-dimethyl-3-oxo-4H-1,4-benzoxazine-6-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 202.07423 Da
Monoisotopic Mass: 1.2
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]+	203.08151	141.8
[M+Na]+	225.06345	153.9
[M-H]-	201.06695	144.2
[M+NH4]+	220.10805	159.2
[M+K]+	241.03739	149.3
[M+H-H2O]+	185.07149	129.6
[M+HCOO]-	247.07243	156.7
[M+CH3COO]-	261.08808	195.0
[M+Na-2H]-	223.04890	149.1
[M]+	202.07368	136.4
[M]-	202.07478	136.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe