CID 78894

5-ethyl-2-pyridineethanol

Structural Information

Molecular Formula
C9H13NO
SMILES
CCC1=CN=C(C=C1)CCO
InChI
InChI=1S/C9H13NO/c1-2-8-3-4-9(5-6-11)10-7-8/h3-4,7,11H,2,5-6H2,1H3
InChIKey
OUJMXIPHUCDRAS-UHFFFAOYSA-N
Compound name
2-(5-ethyl-2-pyridinyl)ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

306
Patents

151.09972 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.106996 131.8
[M+Na]+ 174.088938 139.8
[M-H]- 150.092444 132.8
[M+NH4]+ 169.133543 151.3
[M+K]+ 190.062878 137.4
[M+H-H2O]+ 134.096980 125.7
[M+HCOO]- 196.097921 153.8
[M+CH3COO]- 210.113571 174.4
[M+Na-2H]- 172.074386 138.9
[M]+ 151.09917142 132.2
[M]- 151.10026858 132.2
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