CID 25312351

(2r)-1-amino-3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propan-2-ol

Structural Information

Molecular Formula
C12H18N2O
SMILES
C1CN(CC2=CC=CC=C21)C[C@@H](CN)O
InChI
InChI=1S/C12H18N2O/c13-7-12(15)9-14-6-5-10-3-1-2-4-11(10)8-14/h1-4,12,15H,5-9,13H2/t12-/m1/s1
InChIKey
BYWDGTKESWRSML-GFCCVEGCSA-N
Compound name
(2R)-1-amino-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
Patents

206.1419 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.14918 147.1
[M+Na]+ 229.13112 151.9
[M-H]- 205.13462 147.5
[M+NH4]+ 224.17572 164.3
[M+K]+ 245.10506 148.5
[M+H-H2O]+ 189.13916 140.0
[M+HCOO]- 251.14010 164.4
[M+CH3COO]- 265.15575 186.8
[M+Na-2H]- 227.11657 152.0
[M]+ 206.14135 142.1
[M]- 206.14245 142.1
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