CID 11206266

[3-(hydroxymethyl)quinolin-2-yl]methanol

Structural Information

Molecular Formula
C11H11NO2
SMILES
C1=CC=C2C(=C1)C=C(C(=N2)CO)CO
InChI
InChI=1S/C11H11NO2/c13-6-9-5-8-3-1-2-4-10(8)12-11(9)7-14/h1-5,13-14H,6-7H2
InChIKey
UMELLZWPUHQWTB-UHFFFAOYSA-N
Compound name
[2-(hydroxymethyl)quinolin-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

389
Patents

189.07898 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.08626 138.8
[M+Na]+ 212.06820 147.8
[M-H]- 188.07170 139.7
[M+NH4]+ 207.11280 157.2
[M+K]+ 228.04214 143.7
[M+H-H2O]+ 172.07624 132.6
[M+HCOO]- 234.07718 158.8
[M+CH3COO]- 248.09283 178.6
[M+Na-2H]- 210.05365 147.0
[M]+ 189.07843 138.7
[M]- 189.07953 138.7
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.