CID 165769198

1-[2-(4-methoxyphenyl)ethyl]-2-methylpyrrolidin-3-ol

Structural Information

Molecular Formula
C14H21NO2
SMILES
CC1C(CCN1CCC2=CC=C(C=C2)OC)O
InChI
InChI=1S/C14H21NO2/c1-11-14(16)8-10-15(11)9-7-12-3-5-13(17-2)6-4-12/h3-6,11,14,16H,7-10H2,1-2H3
InChIKey
ZWOGYJWLCHNQJW-UHFFFAOYSA-N
Compound name
1-[2-(4-methoxyphenyl)ethyl]-2-methylpyrrolidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.15723 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.164506 155.3
[M+Na]+ 258.146448 162.1
[M-H]- 234.149954 159.2
[M+NH4]+ 253.191053 173.3
[M+K]+ 274.120388 158.9
[M+H-H2O]+ 218.154490 148.2
[M+HCOO]- 280.155431 175.3
[M+CH3COO]- 294.171081 190.1
[M+Na-2H]- 256.131896 156.3
[M]+ 235.15668142 155.0
[M]- 235.15777858 155.0
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.