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]+ 246.14887 156.6
[M+Na]+ 268.13081 161.9
[M-H]- 244.13431 165.0
[M+NH4]+ 263.17541 174.3
[M+K]+ 284.10475 159.8
[M+H-H2O]+ 228.13885 149.2
[M+HCOO]- 290.13979 176.2
[M+CH3COO]- 304.15544 168.5
[M+Na-2H]- 266.11626 156.4
[M]+ 245.14104 153.4
[M]- 245.14214 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.