CID 23248577

(3r,5r)-5-(aminomethyl)-1-benzylpyrrolidin-3-ol

Structural Information

Molecular Formula
C12H18N2O
SMILES
C1[C@H](CN([C@H]1CN)CC2=CC=CC=C2)O
InChI
InChI=1S/C12H18N2O/c13-7-11-6-12(15)9-14(11)8-10-4-2-1-3-5-10/h1-5,11-12,15H,6-9,13H2/t11-,12-/m1/s1
InChIKey
OJLWRBSJLOKJNJ-VXGBXAGGSA-N
Compound name
(3R,5R)-5-(aminomethyl)-1-benzylpyrrolidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.1419 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.14918 147.2
[M+Na]+ 229.13112 153.1
[M-H]- 205.13462 150.5
[M+NH4]+ 224.17572 165.4
[M+K]+ 245.10506 149.3
[M+H-H2O]+ 189.13916 139.9
[M+HCOO]- 251.14010 168.0
[M+CH3COO]- 265.15575 185.2
[M+Na-2H]- 227.11657 149.4
[M]+ 206.14135 142.6
[M]- 206.14245 142.6
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

No patent data available for this compound.