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

7
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

literature stripe

Patent stripe

patents stripe