CID 66991

2-(2-methoxyethyl)pyridine

Structural Information

Molecular Formula
C8H11NO
SMILES
COCCC1=CC=CC=N1
InChI
InChI=1S/C8H11NO/c1-10-7-5-8-4-2-3-6-9-8/h2-4,6H,5,7H2,1H3
InChIKey
QRBVCAWHUSTDOT-UHFFFAOYSA-N
Compound name
2-(2-methoxyethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

24
References

1229
Patents

137.08406 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.091336 126.7
[M+Na]+ 160.073278 134.6
[M-H]- 136.076784 128.9
[M+NH4]+ 155.117883 147.2
[M+K]+ 176.047218 133.5
[M+H-H2O]+ 120.081320 120.3
[M+HCOO]- 182.082261 150.6
[M+CH3COO]- 196.097911 173.0
[M+Na-2H]- 158.058726 135.7
[M]+ 137.08351142 128.3
[M]- 137.08460858 128.3
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