CID 217423

38906-62-6

Structural Information

Molecular Formula
C15H21NO2
SMILES
CC(=O)CC1(CCN(C1)C)C2=CC(=CC=C2)OC
InChI
InChI=1S/C15H21NO2/c1-12(17)10-15(7-8-16(2)11-15)13-5-4-6-14(9-13)18-3/h4-6,9H,7-8,10-11H2,1-3H3
InChIKey
CBOVODIWWDUBNQ-UHFFFAOYSA-N
Compound name
1-[3-(3-methoxyphenyl)-1-methylpyrrolidin-3-yl]propan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.15723 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.164506 157.7
[M+Na]+ 270.146448 164.5
[M-H]- 246.149954 162.9
[M+NH4]+ 265.191053 177.4
[M+K]+ 286.120388 162.0
[M+H-H2O]+ 230.154490 150.8
[M+HCOO]- 292.155431 178.0
[M+CH3COO]- 306.171081 194.1
[M+Na-2H]- 268.131896 159.3
[M]+ 247.15668142 158.2
[M]- 247.15777858 158.2
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.