CID 607208

62140-78-7

Structural Information

Molecular Formula
C8H8N2O4
SMILES
C1COC2=C(O1)C=C(C(=C2)[N+](=O)[O-])N
InChI
InChI=1S/C8H8N2O4/c9-5-3-7-8(14-2-1-13-7)4-6(5)10(11)12/h3-4H,1-2,9H2
InChIKey
FPLCYUDKBMTETP-UHFFFAOYSA-N
Compound name
6-nitro-2,3-dihydro-1,4-benzodioxin-7-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

65
Patents

196.0484 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.05568 136.1
[M+Na]+ 219.03762 142.8
[M-H]- 195.04112 141.5
[M+NH4]+ 214.08222 152.4
[M+K]+ 235.01156 139.3
[M+H-H2O]+ 179.04566 134.3
[M+HCOO]- 241.04660 158.0
[M+CH3COO]- 255.06225 178.8
[M+Na-2H]- 217.02307 147.0
[M]+ 196.04785 133.7
[M]- 196.04895 133.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe