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-amino-3-pyridinyl)oxy]butanenitrile
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]+ 178.097486 136.7
[M+Na]+ 200.079428 145.8
[M-H]- 176.082934 137.9
[M+NH4]+ 195.124033 153.0
[M+K]+ 216.053368 143.3
[M+H-H2O]+ 160.087470 123.1
[M+HCOO]- 222.088411 156.8
[M+CH3COO]- 236.104061 194.6
[M+Na-2H]- 198.064876 143.0
[M]+ 177.08966142 131.9
[M]- 177.09075858 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.