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]+ 148.07570 127.8
[M+Na]+ 170.05764 138.5
[M-H]- 146.06114 128.6
[M+NH4]+ 165.10224 145.7
[M+K]+ 186.03158 135.3
[M+H-H2O]+ 130.06568 115.4
[M+HCOO]- 192.06662 145.5
[M+CH3COO]- 206.08227 184.2
[M+Na-2H]- 168.04309 134.4
[M]+ 147.06787 123.8
[M]- 147.06897 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.