CID 14674380

5-ethynyl-2-methyl-1-oxo-1lambda~5~-pyridine

Structural Information

Molecular Formula
C8H7NO
SMILES
CC1=[N+](C=C(C=C1)C#C)[O-]
InChI
InChI=1S/C8H7NO/c1-3-8-5-4-7(2)9(10)6-8/h1,4-6H,2H3
InChIKey
QRPYICIVTREBHK-UHFFFAOYSA-N
Compound name
5-ethynyl-2-methyl-1-oxidopyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

133.05276 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.060036 128.3
[M+Na]+ 156.041978 139.7
[M-H]- 132.045484 128.5
[M+NH4]+ 151.086583 146.1
[M+K]+ 172.015918 132.1
[M+H-H2O]+ 116.050020 121.1
[M+HCOO]- 178.050961 145.5
[M+CH3COO]- 192.066611 173.9
[M+Na-2H]- 154.027426 135.5
[M]+ 133.05221142 121.1
[M]- 133.05330858 121.1
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

No patent data available for this compound.