CID 71300062

5-ethynyl-2-methoxy-3-methylpyridine

Structural Information

Molecular Formula
C9H9NO
SMILES
CC1=CC(=CN=C1OC)C#C
InChI
InChI=1S/C9H9NO/c1-4-8-5-7(2)9(11-3)10-6-8/h1,5-6H,2-3H3
InChIKey
CFCJMAFXIGZJNP-UHFFFAOYSA-N
Compound name
5-ethynyl-2-methoxy-3-methylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

147.06842 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.07570 127.1
[M+Na]+ 170.05764 138.6
[M-H]- 146.06114 128.4
[M+NH4]+ 165.10224 145.3
[M+K]+ 186.03158 135.6
[M+H-H2O]+ 130.06568 115.1
[M+HCOO]- 192.06662 144.9
[M+CH3COO]- 206.08227 185.2
[M+Na-2H]- 168.04309 133.2
[M]+ 147.06787 123.5
[M]- 147.06897 123.5
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.