CID 200315

Pyrrolidine, 2,3-dipropyl-3-(m-methoxyphenyl)-1-methyl-

Structural Information

Molecular Formula
C18H29NO
SMILES
CCCC1C(CCN1C)(CCC)C2=CC(=CC=C2)OC
InChI
InChI=1S/C18H29NO/c1-5-8-17-18(11-6-2,12-13-19(17)3)15-9-7-10-16(14-15)20-4/h7,9-10,14,17H,5-6,8,11-13H2,1-4H3
InChIKey
DLWJVSGWYMJZSF-UHFFFAOYSA-N
Compound name
3-(3-methoxyphenyl)-1-methyl-2,3-dipropylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.2249 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.232176 168.2
[M+Na]+ 298.214118 174.7
[M-H]- 274.217624 173.1
[M+NH4]+ 293.258723 187.4
[M+K]+ 314.188058 171.1
[M+H-H2O]+ 258.222160 160.9
[M+HCOO]- 320.223101 188.1
[M+CH3COO]- 334.238751 202.2
[M+Na-2H]- 296.199566 168.7
[M]+ 275.22435142 170.0
[M]- 275.22544858 170.0
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.