CID 12421828

(4,6-dimethylpyridin-3-yl)methanol

Structural Information

Molecular Formula
C8H11NO
SMILES
CC1=CC(=NC=C1CO)C
InChI
InChI=1S/C8H11NO/c1-6-3-7(2)9-4-8(6)5-10/h3-4,10H,5H2,1-2H3
InChIKey
XJOAHYSTSQWYQI-UHFFFAOYSA-N
Compound name
(4,6-dimethylpyridin-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

137.08406 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.09134 126.6
[M+Na]+ 160.07328 136.0
[M-H]- 136.07678 128.3
[M+NH4]+ 155.11788 147.1
[M+K]+ 176.04722 134.0
[M+H-H2O]+ 120.08132 121.1
[M+HCOO]- 182.08226 149.0
[M+CH3COO]- 196.09791 172.5
[M+Na-2H]- 158.05873 133.7
[M]+ 137.08351 127.1
[M]- 137.08461 127.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe