CID 63703406

4-(1,2,3,4-tetrahydroisoquinolin-2-yl)pyrrolidin-3-ol dihydrochloride

Structural Information

Molecular Formula
C13H18N2O
SMILES
C1CN(CC2=CC=CC=C21)C3CNCC3O
InChI
InChI=1S/C13H18N2O/c16-13-8-14-7-12(13)15-6-5-10-3-1-2-4-11(10)9-15/h1-4,12-14,16H,5-9H2
InChIKey
YOMLWJZQKDDDDV-UHFFFAOYSA-N
Compound name
4-(3,4-dihydro-1H-isoquinolin-2-yl)pyrrolidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

218.1419 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.149176 150.7
[M+Na]+ 241.131118 156.0
[M-H]- 217.134624 152.0
[M+NH4]+ 236.175723 167.6
[M+K]+ 257.105058 151.0
[M+H-H2O]+ 201.139160 142.8
[M+HCOO]- 263.140101 164.8
[M+CH3COO]- 277.155751 160.8
[M+Na-2H]- 239.116566 153.1
[M]+ 218.14135142 142.8
[M]- 218.14244858 142.8
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