CID 737823

86604-78-6

Structural Information

Molecular Formula
C9H13NO2
SMILES
CC1=CN=C(C(=C1OC)C)CO
InChI
InChI=1S/C9H13NO2/c1-6-4-10-8(5-11)7(2)9(6)12-3/h4,11H,5H2,1-3H3
InChIKey
PSEPRWKZZJWRCB-UHFFFAOYSA-N
Compound name
(4-methoxy-3,5-dimethylpyridin-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

227
Patents

167.09464 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.10192 134.0
[M+Na]+ 190.08386 143.8
[M-H]- 166.08736 135.8
[M+NH4]+ 185.12846 153.5
[M+K]+ 206.05780 142.0
[M+H-H2O]+ 150.09190 128.2
[M+HCOO]- 212.09284 156.3
[M+CH3COO]- 226.10849 178.8
[M+Na-2H]- 188.06931 139.7
[M]+ 167.09409 136.7
[M]- 167.09519 136.7
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