CID 43125745

4-[(2-aminopyridin-3-yl)oxy]butanenitrile

Structural Information

Molecular Formula
C9H11N3O
SMILES
C1=CC(=C(N=C1)N)OCCCC#N
InChI
InChI=1S/C9H11N3O/c10-5-1-2-7-13-8-4-3-6-12-9(8)11/h3-4,6H,1-2,7H2,(H2,11,12)
InChIKey
OQIBPHLVJUJDNC-UHFFFAOYSA-N
Compound name
4-(2-aminopyridin-3-yl)oxybutanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.09021 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.09749 136.7
[M+Na]+ 200.07943 145.8
[M-H]- 176.08293 137.9
[M+NH4]+ 195.12403 153.0
[M+K]+ 216.05337 143.3
[M+H-H2O]+ 160.08747 123.1
[M+HCOO]- 222.08841 156.8
[M+CH3COO]- 236.10406 194.6
[M+Na-2H]- 198.06488 143.0
[M]+ 177.08966 131.9
[M]- 177.09076 131.9
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.