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-methoxy-2-pyridinyl)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]+ 164.081826 132.9
[M+Na]+ 186.063768 143.2
[M-H]- 162.067274 134.6
[M+NH4]+ 181.108373 150.0
[M+K]+ 202.037708 141.1
[M+H-H2O]+ 146.071810 119.8
[M+HCOO]- 208.072751 153.3
[M+CH3COO]- 222.088401 193.0
[M+Na-2H]- 184.049216 139.0
[M]+ 163.07400142 128.1
[M]- 163.07509858 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.