CID 11493035

3,4-dimethoxy-alpha-pvp

Structural Information

Molecular Formula
C17H25NO3
SMILES
CCCC(C(=O)C1=CC(=C(C=C1)OC)OC)N2CCCC2
InChI
InChI=1S/C17H25NO3/c1-4-7-14(18-10-5-6-11-18)17(19)13-8-9-15(20-2)16(12-13)21-3/h8-9,12,14H,4-7,10-11H2,1-3H3
InChIKey
AGRVUDWDZKZCAA-UHFFFAOYSA-N
Compound name
1-(3,4-dimethoxyphenyl)-2-pyrrolidin-1-ylpentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

10
Patents

291.18344 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.19072 171.1
[M+Na]+ 314.17266 175.6
[M-H]- 290.17616 175.6
[M+NH4]+ 309.21726 186.8
[M+K]+ 330.14660 173.5
[M+H-H2O]+ 274.18070 163.0
[M+HCOO]- 336.18164 189.9
[M+CH3COO]- 350.19729 203.4
[M+Na-2H]- 312.15811 169.3
[M]+ 291.18289 172.8
[M]- 291.18399 172.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe