CID 201509

6139-25-9

Structural Information

Molecular Formula
C13H17NO
SMILES
CCCC1(CCC(=O)N1)C2=CC=CC=C2
InChI
InChI=1S/C13H17NO/c1-2-9-13(10-8-12(15)14-13)11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H,14,15)
InChIKey
DYVMNYVUUPALEF-UHFFFAOYSA-N
Compound name
5-phenyl-5-propylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.13101 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.138286 146.8
[M+Na]+ 226.120228 153.5
[M-H]- 202.123734 150.5
[M+NH4]+ 221.164833 167.5
[M+K]+ 242.094168 149.6
[M+H-H2O]+ 186.128270 140.2
[M+HCOO]- 248.129211 167.2
[M+CH3COO]- 262.144861 181.5
[M+Na-2H]- 224.105676 150.8
[M]+ 203.13046142 143.5
[M]- 203.13155858 143.5
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.