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]+ 207.149176 146.8
[M+Na]+ 229.131118 152.8
[M-H]- 205.134624 150.1
[M+NH4]+ 224.175723 166.8
[M+K]+ 245.105058 149.2
[M+H-H2O]+ 189.139160 139.9
[M+HCOO]- 251.140101 167.7
[M+CH3COO]- 265.155751 183.6
[M+Na-2H]- 227.116566 150.9
[M]+ 206.14135142 142.2
[M]- 206.14244858 142.2
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