CID 30884

21977-25-3

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]+ 195.07642 137.4
[M+Na]+ 217.05836 144.6
[M-H]- 193.06186 141.3
[M+NH4]+ 212.10296 154.5
[M+K]+ 233.03230 139.9
[M+H-H2O]+ 177.06640 135.1
[M+HCOO]- 239.06734 158.1
[M+CH3COO]- 253.08299 177.9
[M+Na-2H]- 215.04381 147.5
[M]+ 194.06859 135.4
[M]- 194.06969 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.