CID 295636

4-(hydroxymethyl)-1-(2-phenylethyl)pyrrolidin-2-one

Structural Information

Molecular Formula
C13H17NO2
SMILES
C1C(CN(C1=O)CCC2=CC=CC=C2)CO
InChI
InChI=1S/C13H17NO2/c15-10-12-8-13(16)14(9-12)7-6-11-4-2-1-3-5-11/h1-5,12,15H,6-10H2
InChIKey
UVEBOTMFTLQXDW-UHFFFAOYSA-N
Compound name
4-(hydroxymethyl)-1-(2-phenylethyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

219.12593 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.133206 150.0
[M+Na]+ 242.115148 156.5
[M-H]- 218.118654 153.6
[M+NH4]+ 237.159753 168.1
[M+K]+ 258.089088 152.9
[M+H-H2O]+ 202.123190 142.8
[M+HCOO]- 264.124131 170.4
[M+CH3COO]- 278.139781 185.1
[M+Na-2H]- 240.100596 152.2
[M]+ 219.12538142 148.2
[M]- 219.12647858 148.2
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