CID 55286574

5-methyl-4-propylpyrrolidin-2-one

Structural Information

Molecular Formula
C8H15NO
SMILES
CCCC1CC(=O)NC1C
InChI
InChI=1S/C8H15NO/c1-3-4-7-5-8(10)9-6(7)2/h6-7H,3-5H2,1-2H3,(H,9,10)
InChIKey
UUALIQLYNNKQIM-UHFFFAOYSA-N
Compound name
5-methyl-4-propylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

141.11537 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.122646 131.8
[M+Na]+ 164.104588 139.2
[M-H]- 140.108094 132.5
[M+NH4]+ 159.149193 153.5
[M+K]+ 180.078528 137.2
[M+H-H2O]+ 124.112630 126.4
[M+HCOO]- 186.113571 152.0
[M+CH3COO]- 200.129221 172.5
[M+Na-2H]- 162.090036 134.3
[M]+ 141.11482142 129.2
[M]- 141.11591858 129.2
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

No patent data available for this compound.