CID 12967995

2-ethynyl-6-(methoxymethyl)pyridine

Structural Information

Molecular Formula
C9H9NO
SMILES
COCC1=NC(=CC=C1)C#C
InChI
InChI=1S/C9H9NO/c1-3-8-5-4-6-9(10-8)7-11-2/h1,4-6H,7H2,2H3
InChIKey
IIDHXPSEMHHMTG-UHFFFAOYSA-N
Compound name
2-ethynyl-6-(methoxymethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

147.06842 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.075696 127.8
[M+Na]+ 170.057638 138.5
[M-H]- 146.061144 128.6
[M+NH4]+ 165.102243 145.7
[M+K]+ 186.031578 135.3
[M+H-H2O]+ 130.065680 115.4
[M+HCOO]- 192.066621 145.5
[M+CH3COO]- 206.082271 184.2
[M+Na-2H]- 168.043086 134.4
[M]+ 147.06787142 123.8
[M]- 147.06896858 123.8
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.