CID 4657809

2,3-dimethoxypyridine

Structural Information

Molecular Formula
C7H9NO2
SMILES
COC1=C(N=CC=C1)OC
InChI
InChI=1S/C7H9NO2/c1-9-6-4-3-5-8-7(6)10-2/h3-5H,1-2H3
InChIKey
QHUHPERZCBUMRK-UHFFFAOYSA-N
Compound name
2,3-dimethoxypyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3291
Patents

139.06332 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.070596 124.8
[M+Na]+ 162.052538 134.0
[M-H]- 138.056044 127.6
[M+NH4]+ 157.097143 145.5
[M+K]+ 178.026478 133.6
[M+H-H2O]+ 122.060580 118.6
[M+HCOO]- 184.061521 149.3
[M+CH3COO]- 198.077171 173.1
[M+Na-2H]- 160.037986 133.6
[M]+ 139.06277142 127.8
[M]- 139.06386858 127.8
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