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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.081506 141.8
[M+Na]+ 225.063448 153.9
[M-H]- 201.066954 144.2
[M+NH4]+ 220.108053 159.2
[M+K]+ 241.037388 149.3
[M+H-H2O]+ 185.071490 129.6
[M+HCOO]- 247.072431 156.7
[M+CH3COO]- 261.088081 195.0
[M+Na-2H]- 223.048896 149.1
[M]+ 202.07368142 136.4
[M]- 202.07477858 136.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe