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]+ 250.180156 159.3
[M+Na]+ 272.162098 165.7
[M-H]- 248.165604 163.0
[M+NH4]+ 267.206703 178.4
[M+K]+ 288.136038 162.4
[M+H-H2O]+ 232.170140 152.4
[M+HCOO]- 294.171081 179.0
[M+CH3COO]- 308.186731 191.5
[M+Na-2H]- 270.147546 161.7
[M]+ 249.17233142 159.3
[M]- 249.17342858 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.