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]+ 286.143776 166.9
[M+Na]+ 308.125718 170.8
[M-H]- 284.129224 175.3
[M+NH4]+ 303.170323 182.3
[M+K]+ 324.099658 169.6
[M+H-H2O]+ 268.133760 158.8
[M+HCOO]- 330.134701 187.0
[M+CH3COO]- 344.150351 196.6
[M+Na-2H]- 306.111166 166.7
[M]+ 285.13595142 166.5
[M]- 285.13704858 166.5
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.