CID 268518

1977-05-5

Structural Information

Molecular Formula
C8H11NO
SMILES
CC1=C(C=CC=N1)CCO
InChI
InChI=1S/C8H11NO/c1-7-8(4-6-10)3-2-5-9-7/h2-3,5,10H,4,6H2,1H3
InChIKey
MFPDJTXHKIFPNP-UHFFFAOYSA-N
Compound name
2-(2-methylpyridin-3-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

26
Patents

137.08406 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.09134 127.5
[M+Na]+ 160.07328 140.8
[M+NH4]+ 155.11788 136.2
[M+K]+ 176.04722 134.2
[M-H]- 136.07678 129.1
[M+Na-2H]- 158.05873 134.9
[M]+ 137.08351 129.8
[M]- 137.08461 129.8
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