CID 723422

62855-02-1

Structural Information

Molecular Formula
C10H13NO
SMILES
C1[C@@H](NCC2=CC=CC=C21)CO
InChI
InChI=1S/C10H13NO/c12-7-10-5-8-3-1-2-4-9(8)6-11-10/h1-4,10-12H,5-7H2/t10-/m1/s1
InChIKey
ZSKDXMLMMQFHGW-SNVBAGLBSA-N
Compound name
[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

306
Patents

163.09972 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.10700 134.6
[M+Na]+ 186.08894 147.2
[M+NH4]+ 181.13354 143.8
[M+K]+ 202.06288 140.2
[M-H]- 162.09244 136.5
[M+Na-2H]- 184.07439 140.6
[M]+ 163.09917 136.8
[M]- 163.10027 136.8
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