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

6
Patents

218.1419 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.14918 150.7
[M+Na]+ 241.13112 156.0
[M-H]- 217.13462 152.0
[M+NH4]+ 236.17572 167.6
[M+K]+ 257.10506 151.0
[M+H-H2O]+ 201.13916 142.8
[M+HCOO]- 263.14010 164.8
[M+CH3COO]- 277.15575 160.8
[M+Na-2H]- 239.11657 153.1
[M]+ 218.14135 142.8
[M]- 218.14245 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