CID 15182

Brn 1434214

Structural Information

Molecular Formula
C18H29NO3
SMILES
CCCC1(CCN(C1)CCOCCO)C2=CC(=CC=C2)OC
InChI
InChI=1S/C18H29NO3/c1-3-7-18(16-5-4-6-17(14-16)21-2)8-9-19(15-18)10-12-22-13-11-20/h4-6,14,20H,3,7-13,15H2,1-2H3
InChIKey
NXJVCCCKMDEEIO-UHFFFAOYSA-N
Compound name
2-[2-[3-(3-methoxyphenyl)-3-propylpyrrolidin-1-yl]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.21475 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.222026 175.6
[M+Na]+ 330.203968 180.4
[M-H]- 306.207474 178.6
[M+NH4]+ 325.248573 192.1
[M+K]+ 346.177908 177.1
[M+H-H2O]+ 290.212010 167.9
[M+HCOO]- 352.212951 194.3
[M+CH3COO]- 366.228601 202.4
[M+Na-2H]- 328.189416 176.4
[M]+ 307.21420142 178.0
[M]- 307.21529858 178.0
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.