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 152.9
[M+Na]+ 290.03835 159.8
[M-H]- 266.04185 155.9
[M+NH4]+ 285.08295 166.9
[M+K]+ 306.01229 150.5
[M+H-H2O]+ 250.04639 155.6
[M+HCOO]- 312.04733 172.2
[M+CH3COO]- 326.06298 183.9
[M+Na-2H]- 288.02380 164.1
[M]+ 267.04858 149.7
[M]- 267.04968 149.7
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