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

28
Patents

133.05276 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.060036 123.7
[M+Na]+ 156.041978 134.8
[M-H]- 132.045484 124.8
[M+NH4]+ 151.086583 142.2
[M+K]+ 172.015918 131.9
[M+H-H2O]+ 116.050020 111.6
[M+HCOO]- 178.050961 141.8
[M+CH3COO]- 192.066611 181.5
[M+Na-2H]- 154.027426 130.9
[M]+ 133.05221142 119.4
[M]- 133.05330858 119.4
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