CID 865104

333408-31-4

Structural Information

Molecular Formula

C₁₁H₁₀ClNO

SMILES

CC1=C2C(=CC=C1)C=C(C(=N2)Cl)CO

InChI

InChI=1S/C11H10ClNO/c1-7-3-2-4-8-5-9(6-14)11(12)13-10(7)8/h2-5,14H,6H2,1H3

InChIKey

GQLHTRIZUUCKGQ-UHFFFAOYSA-N

Compound name

(2-chloro-8-methylquinolin-3-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 15
Patents: 207.04509 Da
Monoisotopic Mass: 2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	208.05237	140.8
[M+Na]+	230.03431	152.0
[M-H]-	206.03781	143.2
[M+NH4]+	225.07891	160.4
[M+K]+	246.00825	146.5
[M+H-H2O]+	190.04235	135.4
[M+HCOO]-	252.04329	157.4
[M+CH3COO]-	266.05894	184.0
[M+Na-2H]-	228.01976	148.2
[M]+	207.04454	143.5
[M]-	207.04564	143.5

Literature stripe

literature stripe

Patent stripe

patents stripe