CID 3077959

2-pyrrolidinone, 1-(phenylmethyl)-5-propoxy-, (+-)-

Structural Information

Molecular Formula
C14H19NO2
SMILES
CCCOC1CCC(=O)N1CC2=CC=CC=C2
InChI
InChI=1S/C14H19NO2/c1-2-10-17-14-9-8-13(16)15(14)11-12-6-4-3-5-7-12/h3-7,14H,2,8-11H2,1H3
InChIKey
VDSUSCVJIQVSRE-UHFFFAOYSA-N
Compound name
1-benzyl-5-propoxypyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

233.14159 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.148866 154.0
[M+Na]+ 256.130808 160.5
[M-H]- 232.134314 158.9
[M+NH4]+ 251.175413 172.3
[M+K]+ 272.104748 157.6
[M+H-H2O]+ 216.138850 146.3
[M+HCOO]- 278.139791 175.6
[M+CH3COO]- 292.155441 190.7
[M+Na-2H]- 254.116256 156.1
[M]+ 233.14104142 154.4
[M]- 233.14213858 154.4
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

patents stripe