CID 3063786

101585-00-6

Structural Information

Molecular Formula
C17H19NO3
SMILES
C1CCN(C1)CC(C2=CC=CC=C2)OC(=O)C3=CC=CO3
InChI
InChI=1S/C17H19NO3/c19-17(15-9-6-12-20-15)21-16(13-18-10-4-5-11-18)14-7-2-1-3-8-14/h1-3,6-9,12,16H,4-5,10-11,13H2
InChIKey
PCYJBDGCRVUWRS-UHFFFAOYSA-N
Compound name
(1-phenyl-2-pyrrolidin-1-ylethyl) furan-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.1365 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.14378 167.1
[M+Na]+ 308.12572 177.6
[M+NH4]+ 303.17032 174.5
[M+K]+ 324.09966 175.5
[M-H]- 284.12922 172.0
[M+Na-2H]- 306.11117 173.6
[M]+ 285.13595 169.7
[M]- 285.13705 169.7
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.