CID 536645

1-benzylpyrrolidine-3,4-diol

Structural Information

Molecular Formula
C11H15NO2
SMILES
C1C(C(CN1CC2=CC=CC=C2)O)O
InChI
InChI=1S/C11H15NO2/c13-10-7-12(8-11(10)14)6-9-4-2-1-3-5-9/h1-5,10-11,13-14H,6-8H2
InChIKey
QJRIUWQPJVPYSO-UHFFFAOYSA-N
Compound name
1-benzylpyrrolidine-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

487
Patents

193.11028 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.11756 143.3
[M+Na]+ 216.09950 154.4
[M+NH4]+ 211.14410 151.3
[M+K]+ 232.07344 150.4
[M-H]- 192.10300 145.4
[M+Na-2H]- 214.08495 149.0
[M]+ 193.10973 145.2
[M]- 193.11083 145.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe