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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.097566 137.0
[M+Na]+ 204.079508 144.5
[M-H]- 180.083014 136.0
[M+NH4]+ 199.124113 155.6
[M+K]+ 220.053448 140.1
[M+H-H2O]+ 164.087550 130.2
[M+HCOO]- 226.088491 153.1
[M+CH3COO]- 240.104141 176.9
[M+Na-2H]- 202.064956 143.1
[M]+ 181.08974142 131.1
[M]- 181.09083858 131.1
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