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]+ 204.13829 146.8
[M+Na]+ 226.12023 153.5
[M-H]- 202.12373 150.5
[M+NH4]+ 221.16483 167.5
[M+K]+ 242.09417 149.6
[M+H-H2O]+ 186.12827 140.2
[M+HCOO]- 248.12921 167.2
[M+CH3COO]- 262.14486 181.5
[M+Na-2H]- 224.10568 150.8
[M]+ 203.13046 143.5
[M]- 203.13156 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.