CID 14578451

3-(aminomethyl)-1-benzylpyrrolidin-3-ol

Structural Information

Molecular Formula
C12H18N2O
SMILES
C1CN(CC1(CN)O)CC2=CC=CC=C2
InChI
InChI=1S/C12H18N2O/c13-9-12(15)6-7-14(10-12)8-11-4-2-1-3-5-11/h1-5,15H,6-10,13H2
InChIKey
WOBFUTIRYFVZBC-UHFFFAOYSA-N
Compound name
3-(aminomethyl)-1-benzylpyrrolidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

68
Patents

206.1419 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.14918 147.7
[M+Na]+ 229.13112 157.9
[M+NH4]+ 224.17572 157.3
[M+K]+ 245.10506 151.5
[M-H]- 205.13462 150.8
[M+Na-2H]- 227.11657 155.3
[M]+ 206.14135 149.9
[M]- 206.14245 149.9
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