CID 3062963

99518-94-2

Structural Information

Molecular Formula
C15H19NO2
SMILES
C1CCN(C1)CC2C(COC2=O)C3=CC=CC=C3
InChI
InChI=1S/C15H19NO2/c17-15-13(10-16-8-4-5-9-16)14(11-18-15)12-6-2-1-3-7-12/h1-3,6-7,13-14H,4-5,8-11H2
InChIKey
UIHYRHHMFNYLIY-UHFFFAOYSA-N
Compound name
4-phenyl-3-(pyrrolidin-1-ylmethyl)oxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.14159 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.148866 156.6
[M+Na]+ 268.130808 161.9
[M-H]- 244.134314 165.0
[M+NH4]+ 263.175413 174.3
[M+K]+ 284.104748 159.8
[M+H-H2O]+ 228.138850 149.2
[M+HCOO]- 290.139791 176.2
[M+CH3COO]- 304.155441 168.5
[M+Na-2H]- 266.116256 156.4
[M]+ 245.14104142 153.4
[M]- 245.14213858 153.4
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.