CID 66954766

3-[(benzylamino)methyl]pyrrolidin-3-ol dihydrochloride

Structural Information

Molecular Formula
C12H18N2O
SMILES
C1CNCC1(CNCC2=CC=CC=C2)O
InChI
InChI=1S/C12H18N2O/c15-12(6-7-13-9-12)10-14-8-11-4-2-1-3-5-11/h1-5,13-15H,6-10H2
InChIKey
ZEBKTLRXRLSWRZ-UHFFFAOYSA-N
Compound name
3-[(benzylamino)methyl]pyrrolidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

206.1419 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.149176 146.7
[M+Na]+ 229.131118 151.3
[M-H]- 205.134624 148.7
[M+NH4]+ 224.175723 165.9
[M+K]+ 245.105058 147.2
[M+H-H2O]+ 189.139160 139.8
[M+HCOO]- 251.140101 166.7
[M+CH3COO]- 265.155751 180.6
[M+Na-2H]- 227.116566 152.1
[M]+ 206.14135142 140.9
[M]- 206.14244858 140.9
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