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

155
Patents

222.06406 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.071336 143.1
[M+Na]+ 245.053278 151.5
[M-H]- 221.056784 146.2
[M+NH4]+ 240.097883 160.6
[M+K]+ 261.027218 146.0
[M+H-H2O]+ 205.061320 141.8
[M+HCOO]- 267.062261 162.4
[M+CH3COO]- 281.077911 180.1
[M+Na-2H]- 243.038726 153.2
[M]+ 222.06351142 141.2
[M]- 222.06460858 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