CID 90919

Alpha-methyl-4-pyridinemethanol

Structural Information

Molecular Formula
C7H9NO
SMILES
CC(C1=CC=NC=C1)O
InChI
InChI=1S/C7H9NO/c1-6(9)7-2-4-8-5-3-7/h2-6,9H,1H3
InChIKey
HVOAMIOKNARIMR-UHFFFAOYSA-N
Compound name
1-pyridin-4-ylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

969
Patents

123.06841 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.07569 123.2
[M+Na]+ 146.05763 130.8
[M-H]- 122.06113 124.3
[M+NH4]+ 141.10223 143.5
[M+K]+ 162.03157 129.4
[M+H-H2O]+ 106.06567 117.4
[M+HCOO]- 168.06661 144.9
[M+CH3COO]- 182.08226 168.1
[M+Na-2H]- 144.04308 130.9
[M]+ 123.06786 121.8
[M]- 123.06896 121.8
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