CID 13814311

(1-benzylpyrrolidine-3,4-diyl)dimethanol

Structural Information

Molecular Formula
C13H19NO2
SMILES
C1C(C(CN1CC2=CC=CC=C2)CO)CO
InChI
InChI=1S/C13H19NO2/c15-9-12-7-14(8-13(12)10-16)6-11-4-2-1-3-5-11/h1-5,12-13,15-16H,6-10H2
InChIKey
HLFKLRXUZKUZOP-UHFFFAOYSA-N
Compound name
[1-benzyl-4-(hydroxymethyl)pyrrolidin-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

221.14159 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.14887 152.3
[M+Na]+ 244.13081 163.0
[M+NH4]+ 239.17541 160.0
[M+K]+ 260.10475 158.5
[M-H]- 220.13431 154.3
[M+Na-2H]- 242.11626 157.5
[M]+ 221.14104 154.1
[M]- 221.14214 154.1
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