CID 302564

56826-61-0

Structural Information

Molecular Formula
C7H9NO
SMILES
CC1=C(C=CC=N1)CO
InChI
InChI=1S/C7H9NO/c1-6-7(5-9)3-2-4-8-6/h2-4,9H,5H2,1H3
InChIKey
PRMLMDSFLIHHSO-UHFFFAOYSA-N
Compound name
(2-methylpyridin-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

466
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 122.9
[M+Na]+ 146.05763 136.5
[M+NH4]+ 141.10223 131.8
[M+K]+ 162.03157 130.1
[M-H]- 122.06113 124.6
[M+Na-2H]- 144.04308 130.6
[M]+ 123.06786 125.3
[M]- 123.06896 125.3
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