CID 82594956

2060043-14-1

Structural Information

Molecular Formula
C7H8N2O2
SMILES
C1OC2=C(O1)C=NC(=C2)CN
InChI
InChI=1S/C7H8N2O2/c8-2-5-1-6-7(3-9-5)11-4-10-6/h1,3H,2,4,8H2
InChIKey
HFVGGZKIYLOLDX-UHFFFAOYSA-N
Compound name
[1,3]dioxolo[4,5-c]pyridin-6-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

152.05858 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.06586 127.4
[M+Na]+ 175.04780 136.2
[M-H]- 151.05130 131.6
[M+NH4]+ 170.09240 147.0
[M+K]+ 191.02174 136.7
[M+H-H2O]+ 135.05584 121.4
[M+HCOO]- 197.05678 149.5
[M+CH3COO]- 211.07243 141.8
[M+Na-2H]- 173.03325 136.5
[M]+ 152.05803 128.0
[M]- 152.05913 128.0
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

No patent data available for this compound.