CID 57347021

2-ethynyl-5-methoxypyridine

Structural Information

Molecular Formula
C8H7NO
SMILES
COC1=CN=C(C=C1)C#C
InChI
InChI=1S/C8H7NO/c1-3-7-4-5-8(10-2)6-9-7/h1,4-6H,2H3
InChIKey
QOAGVFXAPIOPGI-UHFFFAOYSA-N
Compound name
2-ethynyl-5-methoxypyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

133.05276 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.06004 126.2
[M+Na]+ 156.04198 139.8
[M+NH4]+ 151.08658 131.5
[M+K]+ 172.01592 130.2
[M-H]- 132.04548 120.2
[M+Na-2H]- 154.02743 131.1
[M]+ 133.05221 125.7
[M]- 133.05331 125.7
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

patents stripe