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-dimethyl-3-pyridinyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

137.08406 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.091336 126.6
[M+Na]+ 160.073278 136.0
[M-H]- 136.076784 128.3
[M+NH4]+ 155.117883 147.1
[M+K]+ 176.047218 134.0
[M+H-H2O]+ 120.081320 121.1
[M+HCOO]- 182.082261 149.0
[M+CH3COO]- 196.097911 172.5
[M+Na-2H]- 158.058726 133.7
[M]+ 137.08351142 127.1
[M]- 137.08460858 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