CID 10313165

1,3-benzodioxol-4-amine

Structural Information

Molecular Formula
C7H7NO2
SMILES
C1OC2=CC=CC(=C2O1)N
InChI
InChI=1S/C7H7NO2/c8-5-2-1-3-6-7(5)10-4-9-6/h1-3H,4,8H2
InChIKey
KQMXPHISFRKBJP-UHFFFAOYSA-N
Compound name
1,3-benzodioxol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

479
Patents

137.04768 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.054956 122.8
[M+Na]+ 160.036898 131.6
[M-H]- 136.040404 128.5
[M+NH4]+ 155.081503 144.3
[M+K]+ 176.010838 132.2
[M+H-H2O]+ 120.044940 118.0
[M+HCOO]- 182.045881 146.2
[M+CH3COO]- 196.061531 138.0
[M+Na-2H]- 158.022346 132.2
[M]+ 137.04713142 122.9
[M]- 137.04822858 122.9
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