CID 156588946

Mdpihp

Structural Information

Molecular Formula
C17H23NO3
SMILES
CC(C)CC(C(=O)C1=CC2=C(C=C1)OCO2)N3CCCC3
InChI
InChI=1S/C17H23NO3/c1-12(2)9-14(18-7-3-4-8-18)17(19)13-5-6-15-16(10-13)21-11-20-15/h5-6,10,12,14H,3-4,7-9,11H2,1-2H3
InChIKey
VRQRDQWKORSFMZ-UHFFFAOYSA-N
Compound name
1-(1,3-benzodioxol-5-yl)-4-methyl-2-pyrrolidin-1-ylpentan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

289.1678 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.17508 171.3
[M+Na]+ 312.15702 175.0
[M-H]- 288.16052 177.8
[M+NH4]+ 307.20162 186.7
[M+K]+ 328.13096 175.0
[M+H-H2O]+ 272.16506 164.8
[M+HCOO]- 334.16600 186.2
[M+CH3COO]- 348.18165 201.6
[M+Na-2H]- 310.14247 169.4
[M]+ 289.16725 171.3
[M]- 289.16835 171.3
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.