CID 82598787

6-amino-1h,3h,4h-pyrano[3,4-c]pyridine-5-carbonitrile

Structural Information

Molecular Formula
C9H9N3O
SMILES
C1COCC2=CN=C(C(=C21)C#N)N
InChI
InChI=1S/C9H9N3O/c10-3-8-7-1-2-13-5-6(7)4-12-9(8)11/h4H,1-2,5H2,(H2,11,12)
InChIKey
SXVBWEQACQSFIK-UHFFFAOYSA-N
Compound name
6-amino-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.07455 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.08183 135.4
[M+Na]+ 198.06377 145.5
[M-H]- 174.06727 137.7
[M+NH4]+ 193.10837 151.6
[M+K]+ 214.03771 142.2
[M+H-H2O]+ 158.07181 122.1
[M+HCOO]- 220.07275 152.0
[M+CH3COO]- 234.08840 146.8
[M+Na-2H]- 196.04922 142.9
[M]+ 175.07400 127.9
[M]- 175.07510 127.9
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

No patent data available for this compound.