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 168.8
[M+Na]+ 306.14645 181.7
[M+NH4]+ 301.19105 178.4
[M+K]+ 322.12039 173.8
[M-H]- 282.14995 173.5
[M+Na-2H]- 304.13190 178.4
[M]+ 283.15668 172.1
[M]- 283.15778 172.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.