CID 68120083

1389391-15-4

Structural Information

Molecular Formula

C₁₀H₁₂FNO

SMILES

C1[C@H](NCC2=C1C=C(C=C2)F)CO

InChI

InChI=1S/C10H12FNO/c11-9-2-1-7-5-12-10(6-13)4-8(7)3-9/h1-3,10,12-13H,4-6H2/t10-/m0/s1

InChIKey

HOBXJDYDGFFAPV-JTQLQIEISA-N

Compound name

[(3S)-6-fluoro-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 181.09029 Da
Monoisotopic Mass: 0.8
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]+	182.09757	138.1
[M+Na]+	204.07951	149.9
[M+NH4]+	199.12411	146.4
[M+K]+	220.05345	143.2
[M-H]-	180.08301	138.4
[M+Na-2H]-	202.06496	142.9
[M]+	181.08974	139.6
[M]-	181.09084	139.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe