CID 12355699

4-(prop-2-yn-1-yloxy)pyridine

Structural Information

Molecular Formula
C8H7NO
SMILES
C#CCOC1=CC=NC=C1
InChI
InChI=1S/C8H7NO/c1-2-7-10-8-3-5-9-6-4-8/h1,3-6H,7H2
InChIKey
NVLXETAVCCTIKC-UHFFFAOYSA-N
Compound name
4-prop-2-ynoxypyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

133.05276 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.06004 124.3
[M+Na]+ 156.04198 134.6
[M-H]- 132.04548 124.9
[M+NH4]+ 151.08658 142.4
[M+K]+ 172.01592 131.5
[M+H-H2O]+ 116.05002 111.9
[M+HCOO]- 178.05096 142.3
[M+CH3COO]- 192.06661 180.6
[M+Na-2H]- 154.02743 132.1
[M]+ 133.05221 119.6
[M]- 133.05331 119.6
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

patents stripe