CID 132561208

Carriebowlinol

Structural Information

Molecular Formula

C₁₀H₁₂ClNO

SMILES

C1C[C@@H](C2=C(C=CN=C2C1)CCl)O

InChI

InChI=1S/C10H12ClNO/c11-6-7-4-5-12-8-2-1-3-9(13)10(7)8/h4-5,9,13H,1-3,6H2/t9-/m0/s1

InChIKey

GZEHTZDKKUTPMR-VIFPVBQESA-N

Compound name

(5S)-4-(chloromethyl)-5,6,7,8-tetrahydroquinolin-5-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 197.06075 Da
Monoisotopic Mass: 1.2
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]+	198.06803	139.6
[M+Na]+	220.04997	148.2
[M-H]-	196.05347	141.0
[M+NH4]+	215.09457	159.1
[M+K]+	236.02391	143.3
[M+H-H2O]+	180.05801	134.0
[M+HCOO]-	242.05895	153.6
[M+CH3COO]-	256.07460	152.0
[M+Na-2H]-	218.03542	146.2
[M]+	197.06020	138.6
[M]-	197.06130	138.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.