CID 210616

Brn 0692248

Structural Information

Molecular Formula
C10H9N3O6
SMILES
CC1(C2=C(C(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])NC(=O)O1)C
InChI
InChI=1S/C10H9N3O6/c1-10(2)6-3-5(12(15)16)4-7(13(17)18)8(6)11-9(14)19-10/h3-4H,1-2H3,(H,11,14)
InChIKey
QUQYDLVIQULMIE-UHFFFAOYSA-N
Compound name
4,4-dimethyl-6,8-dinitro-1H-3,1-benzoxazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.04913 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.05641 157.0
[M+Na]+ 290.03835 169.7
[M+NH4]+ 285.08295 164.2
[M+K]+ 306.01229 169.0
[M-H]- 266.04185 160.7
[M+Na-2H]- 288.02380 160.6
[M]+ 267.04858 159.6
[M]- 267.04968 159.6
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

No patent data available for this compound.