CID 217424

Brn 1468581

Structural Information

Molecular Formula
C15H23NO2
SMILES
CN1CCC(C1)(CCCO)C2=CC(=CC=C2)OC
InChI
InChI=1S/C15H23NO2/c1-16-9-8-15(12-16,7-4-10-17)13-5-3-6-14(11-13)18-2/h3,5-6,11,17H,4,7-10,12H2,1-2H3
InChIKey
GOJYTJGYCNZGIX-UHFFFAOYSA-N
Compound name
3-[3-(3-methoxyphenyl)-1-methylpyrrolidin-3-yl]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.17288 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.18016 159.3
[M+Na]+ 272.16210 165.7
[M-H]- 248.16560 163.0
[M+NH4]+ 267.20670 178.4
[M+K]+ 288.13604 162.4
[M+H-H2O]+ 232.17014 152.4
[M+HCOO]- 294.17108 179.0
[M+CH3COO]- 308.18673 191.5
[M+Na-2H]- 270.14755 161.7
[M]+ 249.17233 159.3
[M]- 249.17343 159.3
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.