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

440
Patents

137.04768 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.05496 123.4
[M+Na]+ 160.03690 135.5
[M+NH4]+ 155.08150 133.0
[M+K]+ 176.01084 132.4
[M-H]- 136.04040 128.7
[M+Na-2H]- 158.02235 128.6
[M]+ 137.04713 126.6
[M]- 137.04823 126.6
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