CID 4737766

4-methoxy-3-methylpyridine

Structural Information

Molecular Formula
C7H9NO
SMILES
CC1=C(C=CN=C1)OC
InChI
InChI=1S/C7H9NO/c1-6-5-8-4-3-7(6)9-2/h3-5H,1-2H3
InChIKey
NCBHMODQBDKRJC-UHFFFAOYSA-N
Compound name
4-methoxy-3-methylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

487
Patents

123.06841 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.075686 121.5
[M+Na]+ 146.057628 130.8
[M-H]- 122.061134 124.4
[M+NH4]+ 141.102233 143.0
[M+K]+ 162.031568 130.0
[M+H-H2O]+ 106.065670 115.6
[M+HCOO]- 168.066611 145.8
[M+CH3COO]- 182.082261 171.1
[M+Na-2H]- 144.043076 130.4
[M]+ 123.06786142 123.1
[M]- 123.06895858 123.1
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