CID 14025399

111796-01-1

Structural Information

Molecular Formula
C8H9N3O
SMILES
COC1=NC(=C(C=C1)N)CC#N
InChI
InChI=1S/C8H9N3O/c1-12-8-3-2-6(10)7(11-8)4-5-9/h2-3H,4,10H2,1H3
InChIKey
SZTYCWGEOJTSSS-UHFFFAOYSA-N
Compound name
2-(3-amino-6-methoxypyridin-2-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

163.07455 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.08183 132.9
[M+Na]+ 186.06377 143.2
[M-H]- 162.06727 134.6
[M+NH4]+ 181.10837 150.0
[M+K]+ 202.03771 141.1
[M+H-H2O]+ 146.07181 119.8
[M+HCOO]- 208.07275 153.3
[M+CH3COO]- 222.08840 193.0
[M+Na-2H]- 184.04922 139.0
[M]+ 163.07400 128.1
[M]- 163.07510 128.1
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

No patent data available for this compound.