CID 40787531

69423-13-8

Structural Information

Molecular Formula
C11H17NO2
SMILES
C1=CC(=NC(=C1)CCCO)CCCO
InChI
InChI=1S/C11H17NO2/c13-8-2-6-10-4-1-5-11(12-10)7-3-9-14/h1,4-5,13-14H,2-3,6-9H2
InChIKey
GVIZSPVYUCBWKE-UHFFFAOYSA-N
Compound name
3-[6-(3-hydroxypropyl)-2-pyridinyl]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.12593 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.133206 144.8
[M+Na]+ 218.115148 151.3
[M-H]- 194.118654 143.9
[M+NH4]+ 213.159753 161.7
[M+K]+ 234.089088 148.0
[M+H-H2O]+ 178.123190 138.2
[M+HCOO]- 240.124131 164.8
[M+CH3COO]- 254.139781 179.9
[M+Na-2H]- 216.100596 150.2
[M]+ 195.12538142 145.4
[M]- 195.12647858 145.4
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.