CID 122213805

Co09a4cne0

Structural Information

Molecular Formula
C18H27NO3
SMILES
CCCCC(C(=O)C1=CC(=C(C=C1)OC)OC)N2CCCC2
InChI
InChI=1S/C18H27NO3/c1-4-5-8-15(19-11-6-7-12-19)18(20)14-9-10-16(21-2)17(13-14)22-3/h9-10,13,15H,4-8,11-12H2,1-3H3
InChIKey
KAWWDIAYCGMAPE-UHFFFAOYSA-N
Compound name
1-(3,4-dimethoxyphenyl)-2-pyrrolidin-1-ylhexan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

305.1991 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.206376 175.7
[M+Na]+ 328.188318 179.7
[M-H]- 304.191824 180.0
[M+NH4]+ 323.232923 190.8
[M+K]+ 344.162258 177.5
[M+H-H2O]+ 288.196360 167.4
[M+HCOO]- 350.197301 194.1
[M+CH3COO]- 364.212951 206.4
[M+Na-2H]- 326.173766 173.4
[M]+ 305.19855142 177.8
[M]- 305.19964858 177.8
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.