CID 3844299

2-cyano-n-(7-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

Structural Information

Molecular Formula
C11H9N3O5
SMILES
C1COC2=C(O1)C=C(C(=C2)[N+](=O)[O-])NC(=O)CC#N
InChI
InChI=1S/C11H9N3O5/c12-2-1-11(15)13-7-5-9-10(19-4-3-18-9)6-8(7)14(16)17/h5-6H,1,3-4H2,(H,13,15)
InChIKey
GNOYBLOYMSSKNJ-UHFFFAOYSA-N
Compound name
2-cyano-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.05423 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.06151 158.6
[M+Na]+ 286.04345 166.1
[M-H]- 262.04695 162.6
[M+NH4]+ 281.08805 170.4
[M+K]+ 302.01739 161.2
[M+H-H2O]+ 246.05149 148.9
[M+HCOO]- 308.05243 175.7
[M+CH3COO]- 322.06808 202.6
[M+Na-2H]- 284.02890 166.5
[M]+ 263.05368 152.7
[M]- 263.05478 152.7
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.