CID 3051592

3-(p-benzyloxyphenyl)-5-methyl-3-pyrrolidinol hydrochloride

Structural Information

Molecular Formula
C18H21NO2
SMILES
CC1CC(CN1)(C2=CC=C(C=C2)OCC3=CC=CC=C3)O
InChI
InChI=1S/C18H21NO2/c1-14-11-18(20,13-19-14)16-7-9-17(10-8-16)21-12-15-5-3-2-4-6-15/h2-10,14,19-20H,11-13H2,1H3
InChIKey
GJVFYFULSAEJSE-UHFFFAOYSA-N
Compound name
5-methyl-3-(4-phenylmethoxyphenyl)pyrrolidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.15723 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.16451 167.4
[M+Na]+ 306.14645 173.4
[M-H]- 282.14995 173.0
[M+NH4]+ 301.19105 183.8
[M+K]+ 322.12039 167.9
[M+H-H2O]+ 266.15449 159.3
[M+HCOO]- 328.15543 186.0
[M+CH3COO]- 342.17108 177.9
[M+Na-2H]- 304.13190 169.9
[M]+ 283.15668 164.0
[M]- 283.15778 164.0
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.