CID 72213554

1260671-81-5

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

152.05858 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.065856 127.4
[M+Na]+ 175.047798 136.2
[M-H]- 151.051304 131.6
[M+NH4]+ 170.092403 147.0
[M+K]+ 191.021738 136.7
[M+H-H2O]+ 135.055840 121.4
[M+HCOO]- 197.056781 149.5
[M+CH3COO]- 211.072431 141.8
[M+Na-2H]- 173.033246 136.5
[M]+ 152.05803142 128.0
[M]- 152.05912858 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.