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 166.9
[M+Na]+ 308.12572 170.8
[M-H]- 284.12922 175.3
[M+NH4]+ 303.17032 182.3
[M+K]+ 324.09966 169.6
[M+H-H2O]+ 268.13376 158.8
[M+HCOO]- 330.13470 187.0
[M+CH3COO]- 344.15035 196.6
[M+Na-2H]- 306.11117 166.7
[M]+ 285.13595 166.5
[M]- 285.13705 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.