CID 82661791

[3-(aminomethyl)-1-benzylpyrrolidin-3-yl]methanol

Structural Information

Molecular Formula
C13H20N2O
SMILES
C1CN(CC1(CN)CO)CC2=CC=CC=C2
InChI
InChI=1S/C13H20N2O/c14-9-13(11-16)6-7-15(10-13)8-12-4-2-1-3-5-12/h1-5,16H,6-11,14H2
InChIKey
WZIULSRCTYZUNJ-UHFFFAOYSA-N
Compound name
[3-(aminomethyl)-1-benzylpyrrolidin-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.15756 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.16484 151.2
[M+Na]+ 243.14678 156.8
[M-H]- 219.15028 154.3
[M+NH4]+ 238.19138 170.6
[M+K]+ 259.12072 153.0
[M+H-H2O]+ 203.15482 144.2
[M+HCOO]- 265.15576 171.8
[M+CH3COO]- 279.17141 186.6
[M+Na-2H]- 241.13223 154.8
[M]+ 220.15701 147.0
[M]- 220.15811 147.0
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

No patent data available for this compound.