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

17
Patents

206.1419 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.14918 146.7
[M+Na]+ 229.13112 151.3
[M-H]- 205.13462 148.7
[M+NH4]+ 224.17572 165.9
[M+K]+ 245.10506 147.2
[M+H-H2O]+ 189.13916 139.8
[M+HCOO]- 251.14010 166.7
[M+CH3COO]- 265.15575 180.6
[M+Na-2H]- 227.11657 152.1
[M]+ 206.14135 140.9
[M]- 206.14245 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