CID 92973653

Ns00117066

Structural Information

Molecular Formula
C14H17NO3
SMILES
C[C@H](C(=O)C1=CC2=C(C=C1)OCO2)N3CCCC3
InChI
InChI=1S/C14H17NO3/c1-10(15-6-2-3-7-15)14(16)11-4-5-12-13(8-11)18-9-17-12/h4-5,8,10H,2-3,6-7,9H2,1H3/t10-/m1/s1
InChIKey
NIYQOTCYXGXMPI-SNVBAGLBSA-N
Compound name
(2R)-1-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

37
Patents

247.12085 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.12813 155.3
[M+Na]+ 270.11007 165.2
[M+NH4]+ 265.15467 163.2
[M+K]+ 286.08401 164.6
[M-H]- 246.11357 159.8
[M+Na-2H]- 268.09552 158.2
[M]+ 247.12030 157.8
[M]- 247.12140 157.8
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

No patent data available for this compound.