CID 18387477

7-nitro-2,3,4,5-tetrahydro-1,4-benzoxazepine hydrochloride

Structural Information

Molecular Formula
C9H10N2O3
SMILES
C1COC2=C(CN1)C=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C9H10N2O3/c12-11(13)8-1-2-9-7(5-8)6-10-3-4-14-9/h1-2,5,10H,3-4,6H2
InChIKey
XLSJIONOSGAQDN-UHFFFAOYSA-N
Compound name
7-nitro-2,3,4,5-tetrahydro-1,4-benzoxazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

194.06914 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.07642 141.5
[M+Na]+ 217.05836 152.3
[M+NH4]+ 212.10296 148.8
[M+K]+ 233.03230 150.6
[M-H]- 193.06186 145.0
[M+Na-2H]- 215.04381 146.0
[M]+ 194.06859 143.8
[M]- 194.06969 143.8
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