CID 30884

1h-2,3-benzoxazine, 3,4-dihydro-3-methyl-6-nitro-

Structural Information

Molecular Formula
C9H10N2O3
SMILES
CN1CC2=C(CO1)C=CC(=C2)[N+](=O)[O-]
InChI
InChI=1S/C9H10N2O3/c1-10-5-8-4-9(11(12)13)3-2-7(8)6-14-10/h2-4H,5-6H2,1H3
InChIKey
KAKXDVMMEINZJU-UHFFFAOYSA-N
Compound name
3-methyl-6-nitro-1,4-dihydro-2,3-benzoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.06914 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.076416 137.4
[M+Na]+ 217.058358 144.6
[M-H]- 193.061864 141.3
[M+NH4]+ 212.102963 154.5
[M+K]+ 233.032298 139.9
[M+H-H2O]+ 177.066400 135.1
[M+HCOO]- 239.067341 158.1
[M+CH3COO]- 253.082991 177.9
[M+Na-2H]- 215.043806 147.5
[M]+ 194.06859142 135.4
[M]- 194.06968858 135.4
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.