CID 246288

2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethan-1-ol

Structural Information

Molecular Formula
C11H15NO
SMILES
C1CN(CC2=CC=CC=C21)CCO
InChI
InChI=1S/C11H15NO/c13-8-7-12-6-5-10-3-1-2-4-11(10)9-12/h1-4,13H,5-9H2
InChIKey
WLRXAYDWKJAYPS-UHFFFAOYSA-N
Compound name
2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

177.11537 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.12265 138.3
[M+Na]+ 200.10459 144.8
[M-H]- 176.10809 139.5
[M+NH4]+ 195.14919 157.5
[M+K]+ 216.07853 141.5
[M+H-H2O]+ 160.11263 131.7
[M+HCOO]- 222.11357 156.7
[M+CH3COO]- 236.12922 178.6
[M+Na-2H]- 198.09004 145.6
[M]+ 177.11482 135.3
[M]- 177.11592 135.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe