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

484
Patents

123.06841 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.07569 121.5
[M+Na]+ 146.05763 130.8
[M-H]- 122.06113 124.4
[M+NH4]+ 141.10223 143.0
[M+K]+ 162.03157 130.0
[M+H-H2O]+ 106.06567 115.6
[M+HCOO]- 168.06661 145.8
[M+CH3COO]- 182.08226 171.1
[M+Na-2H]- 144.04308 130.4
[M]+ 123.06786 123.1
[M]- 123.06896 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