CID 30448

21038-09-5

Structural Information

Molecular Formula
C9H10N2O3
SMILES
CN1CC2=C(CO1)C=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C9H10N2O3/c1-10-5-7-2-3-9(11(12)13)4-8(7)6-14-10/h2-4H,5-6H2,1H3
InChIKey
XRNMUORBCMFEJN-UHFFFAOYSA-N
Compound name
3-methyl-7-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 137.0
[M+Na]+ 217.05836 151.1
[M+NH4]+ 212.10296 145.7
[M+K]+ 233.03230 147.8
[M-H]- 193.06186 141.7
[M+Na-2H]- 215.04381 142.5
[M]+ 194.06859 140.2
[M]- 194.06969 140.2
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

No patent data available for this compound.