CID 717428

30914-88-6

Structural Information

Molecular Formula
C10H11NO2
SMILES
CC1(NC(=O)C2=CC=CC=C2O1)C
InChI
InChI=1S/C10H11NO2/c1-10(2)11-9(12)7-5-3-4-6-8(7)13-10/h3-6H,1-2H3,(H,11,12)
InChIKey
RXDGEARQCVVVIF-UHFFFAOYSA-N
Compound name
2,2-dimethyl-3H-1,3-benzoxazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

120
Patents

177.07898 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.08626 136.5
[M+Na]+ 200.06820 150.1
[M+NH4]+ 195.11280 146.6
[M+K]+ 216.04214 142.1
[M-H]- 176.07170 139.6
[M+Na-2H]- 198.05365 143.3
[M]+ 177.07843 139.5
[M]- 177.07953 139.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe