CID 10656631

2,2-dimethyl-6-nitro-2h-benzo[b][1,4]oxazin-3(4h)-one

Structural Information

Molecular Formula
C10H10N2O4
SMILES
CC1(C(=O)NC2=C(O1)C=CC(=C2)[N+](=O)[O-])C
InChI
InChI=1S/C10H10N2O4/c1-10(2)9(13)11-7-5-6(12(14)15)3-4-8(7)16-10/h3-5H,1-2H3,(H,11,13)
InChIKey
YKXZRZGZJZYBBH-UHFFFAOYSA-N
Compound name
2,2-dimethyl-6-nitro-4H-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

141
Patents

222.06406 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.07134 143.1
[M+Na]+ 245.05328 151.5
[M-H]- 221.05678 146.2
[M+NH4]+ 240.09788 160.6
[M+K]+ 261.02722 146.0
[M+H-H2O]+ 205.06132 141.8
[M+HCOO]- 267.06226 162.4
[M+CH3COO]- 281.07791 180.1
[M+Na-2H]- 243.03873 153.2
[M]+ 222.06351 141.2
[M]- 222.06461 141.2
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