CID 594412

Quinolin-8-ylmethanol

Structural Information

Molecular Formula
C10H9NO
SMILES
C1=CC2=C(C(=C1)CO)N=CC=C2
InChI
InChI=1S/C10H9NO/c12-7-9-4-1-3-8-5-2-6-11-10(8)9/h1-6,12H,7H2
InChIKey
BGLZVNYGUGILJU-UHFFFAOYSA-N
Compound name
quinolin-8-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

233
Patents

159.06842 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.07570 130.4
[M+Na]+ 182.05764 139.4
[M-H]- 158.06114 132.5
[M+NH4]+ 177.10224 150.5
[M+K]+ 198.03158 135.9
[M+H-H2O]+ 142.06568 124.1
[M+HCOO]- 204.06662 152.0
[M+CH3COO]- 218.08227 144.0
[M+Na-2H]- 180.04309 140.4
[M]+ 159.06787 129.9
[M]- 159.06897 129.9
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