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 146.8
[M+Na]+ 229.13112 152.8
[M-H]- 205.13462 150.1
[M+NH4]+ 224.17572 166.8
[M+K]+ 245.10506 149.2
[M+H-H2O]+ 189.13916 139.9
[M+HCOO]- 251.14010 167.7
[M+CH3COO]- 265.15575 183.6
[M+Na-2H]- 227.11657 150.9
[M]+ 206.14135 142.2
[M]- 206.14245 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