CID 3051392

67465-10-5

Structural Information

Molecular Formula
C17H19NO2
SMILES
CC1C(CCN1)(C2=CC=C(C=C2)OC3=CC=CC=C3)O
InChI
InChI=1S/C17H19NO2/c1-13-17(19,11-12-18-13)14-7-9-16(10-8-14)20-15-5-3-2-4-6-15/h2-10,13,18-19H,11-12H2,1H3
InChIKey
SCHFJESORWQKDK-UHFFFAOYSA-N
Compound name
2-methyl-3-(4-phenoxyphenyl)pyrrolidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.14157 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.14885 164.3
[M+Na]+ 292.13079 177.4
[M+NH4]+ 287.17539 174.0
[M+K]+ 308.10473 169.8
[M-H]- 268.13429 169.1
[M+Na-2H]- 290.11624 174.2
[M]+ 269.14102 167.6
[M]- 269.14212 167.6
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.