CID 82418500

2h-[1,3]dioxolo[4,5-b]pyridin-6-amine

Structural Information

Molecular Formula
C6H6N2O2
SMILES
C1OC2=C(O1)N=CC(=C2)N
InChI
InChI=1S/C6H6N2O2/c7-4-1-5-6(8-2-4)10-3-9-5/h1-2H,3,7H2
InChIKey
HEDCSLNHFAWSGN-UHFFFAOYSA-N
Compound name
[1,3]dioxolo[4,5-b]pyridin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

138.04292 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.050196 122.6
[M+Na]+ 161.032138 131.9
[M-H]- 137.035644 127.0
[M+NH4]+ 156.076743 142.8
[M+K]+ 177.006078 132.6
[M+H-H2O]+ 121.040180 116.8
[M+HCOO]- 183.041121 145.1
[M+CH3COO]- 197.056771 137.4
[M+Na-2H]- 159.017586 132.3
[M]+ 138.04237142 122.9
[M]- 138.04346858 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