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

75
Patents

206.06914 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.076416 140.6
[M+Na]+ 229.058358 145.8
[M-H]- 205.061864 143.8
[M+NH4]+ 224.102963 156.7
[M+K]+ 245.032298 143.7
[M+H-H2O]+ 189.066400 139.1
[M+HCOO]- 251.067341 160.1
[M+CH3COO]- 265.082991 179.0
[M+Na-2H]- 227.043806 148.4
[M]+ 206.06859142 133.1
[M]- 206.06968858 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