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]+ 221.164836 151.2
[M+Na]+ 243.146778 156.8
[M-H]- 219.150284 154.3
[M+NH4]+ 238.191383 170.6
[M+K]+ 259.120718 153.0
[M+H-H2O]+ 203.154820 144.2
[M+HCOO]- 265.155761 171.8
[M+CH3COO]- 279.171411 186.6
[M+Na-2H]- 241.132226 154.8
[M]+ 220.15701142 147.0
[M]- 220.15810858 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.