CID 11962777

(5-methylpyridin-3-yl)methanol

Structural Information

Molecular Formula
C7H9NO
SMILES
CC1=CC(=CN=C1)CO
InChI
InChI=1S/C7H9NO/c1-6-2-7(5-9)4-8-3-6/h2-4,9H,5H2,1H3
InChIKey
MRQAYFYTWNIVFN-UHFFFAOYSA-N
Compound name
(5-methylpyridin-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

340
Patents

123.06841 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.07569 122.5
[M+Na]+ 146.05763 131.3
[M-H]- 122.06113 123.9
[M+NH4]+ 141.10223 143.2
[M+K]+ 162.03157 129.5
[M+H-H2O]+ 106.06567 116.8
[M+HCOO]- 168.06661 145.2
[M+CH3COO]- 182.08226 168.4
[M+Na-2H]- 144.04308 130.7
[M]+ 123.06786 122.1
[M]- 123.06896 122.1
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