CID 11472

4-hydroxymethylpyridine

Structural Information

Molecular Formula
C6H7NO
SMILES
C1=CN=CC=C1CO
InChI
InChI=1S/C6H7NO/c8-5-6-1-3-7-4-2-6/h1-4,8H,5H2
InChIKey
PTMBWNZJOQBTBK-UHFFFAOYSA-N
Compound name
pyridin-4-ylmethanol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

15
References

6358
Patents

109.052765 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 110.06004 118.2
[M+Na]+ 132.04198 126.5
[M-H]- 108.04549 119.4
[M+NH4]+ 127.08659 139.1
[M+K]+ 148.01592 124.9
[M+H-H2O]+ 92.050025 112.5
[M+HCOO]- 154.05097 141.3
[M+CH3COO]- 168.06662 164.2
[M+Na-2H]- 130.02743 127.8
[M]+ 109.05222 117.1
[M]- 109.05331 117.1
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

No patent data available for this compound.