CID 206555

28142-72-5

Structural Information

Molecular Formula
C17H27NO
SMILES
CCCC1(CCN(C1)C)C2=CC(=CC=C2)OCCC
InChI
InChI=1S/C17H27NO/c1-4-9-17(10-11-18(3)14-17)15-7-6-8-16(13-15)19-12-5-2/h6-8,13H,4-5,9-12,14H2,1-3H3
InChIKey
HGDQVJINBBUUNO-UHFFFAOYSA-N
Compound name
1-methyl-3-(3-propoxyphenyl)-3-propylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.20926 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.216536 164.5
[M+Na]+ 284.198478 170.5
[M-H]- 260.201984 169.2
[M+NH4]+ 279.243083 183.9
[M+K]+ 300.172418 167.2
[M+H-H2O]+ 244.206520 157.1
[M+HCOO]- 306.207461 184.8
[M+CH3COO]- 320.223111 198.1
[M+Na-2H]- 282.183926 166.2
[M]+ 261.20871142 165.6
[M]- 261.20980858 165.6
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.