CID 84310

14268-66-7

Structural Information

Molecular Formula
C7H7NO2
SMILES
C1OC2=C(O1)C=C(C=C2)N
InChI
InChI=1S/C7H7NO2/c8-5-1-2-6-7(3-5)10-4-9-6/h1-3H,4,8H2
InChIKey
XGNXYCFREOZBOL-UHFFFAOYSA-N
Compound name
1,3-benzodioxol-5-amine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

7555
Patents

137.04768 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.05496 122.8
[M+Na]+ 160.03690 131.6
[M-H]- 136.04040 128.5
[M+NH4]+ 155.08150 144.3
[M+K]+ 176.01084 132.2
[M+H-H2O]+ 120.04494 118.0
[M+HCOO]- 182.04588 146.2
[M+CH3COO]- 196.06153 138.0
[M+Na-2H]- 158.02235 132.2
[M]+ 137.04713 122.9
[M]- 137.04823 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

literature stripe

Patent stripe

patents stripe