CID 201512

6139-29-3

Structural Information

Molecular Formula
C13H17NO2
SMILES
CCC1(CCC(=O)N1)C2=CC=C(C=C2)OC
InChI
InChI=1S/C13H17NO2/c1-3-13(9-8-12(15)14-13)10-4-6-11(16-2)7-5-10/h4-7H,3,8-9H2,1-2H3,(H,14,15)
InChIKey
WIAJZPQJRIFRGV-UHFFFAOYSA-N
Compound name
5-ethyl-5-(4-methoxyphenyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.12593 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.133206 149.2
[M+Na]+ 242.115148 156.8
[M-H]- 218.118654 153.4
[M+NH4]+ 237.159753 169.5
[M+K]+ 258.089088 153.4
[M+H-H2O]+ 202.123190 142.8
[M+HCOO]- 264.124131 169.8
[M+CH3COO]- 278.139781 184.6
[M+Na-2H]- 240.100596 152.7
[M]+ 219.12538142 147.8
[M]- 219.12647858 147.8
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.