CID 356175

22246-45-3

Structural Information

Molecular Formula
C10H10N2O3
SMILES
C1CC2=C(C=CC(=C2)[N+](=O)[O-])NC(=O)C1
InChI
InChI=1S/C10H10N2O3/c13-10-3-1-2-7-6-8(12(14)15)4-5-9(7)11-10/h4-6H,1-3H2,(H,11,13)
InChIKey
ASVGSXZZZWXPRE-UHFFFAOYSA-N
Compound name
7-nitro-1,3,4,5-tetrahydro-1-benzazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

206.06914 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.07642 140.6
[M+Na]+ 229.05836 145.8
[M-H]- 205.06186 143.8
[M+NH4]+ 224.10296 156.7
[M+K]+ 245.03230 143.7
[M+H-H2O]+ 189.06640 139.1
[M+HCOO]- 251.06734 160.1
[M+CH3COO]- 265.08299 179.0
[M+Na-2H]- 227.04381 148.4
[M]+ 206.06859 133.1
[M]- 206.06969 133.1
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