CID 69278

4-methoxypyridine

Structural Information

Molecular Formula
C6H7NO
SMILES
COC1=CC=NC=C1
InChI
InChI=1S/C6H7NO/c1-8-6-2-4-7-5-3-6/h2-5H,1H3
InChIKey
XQABVLBGNWBWIV-UHFFFAOYSA-N
Compound name
4-methoxypyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

21
References

80682
Patents

109.052765 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 110.06004 117.4
[M+Na]+ 132.04198 126.1
[M-H]- 108.04549 119.9
[M+NH4]+ 127.08659 139.0
[M+K]+ 148.01592 125.5
[M+H-H2O]+ 92.050025 111.4
[M+HCOO]- 154.05097 141.9
[M+CH3COO]- 168.06662 167.0
[M+Na-2H]- 130.02743 127.5
[M]+ 109.05222 118.2
[M]- 109.05331 118.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe