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]+ 142.12265 131.8
[M+Na]+ 164.10459 139.2
[M-H]- 140.10809 132.5
[M+NH4]+ 159.14919 153.5
[M+K]+ 180.07853 137.2
[M+H-H2O]+ 124.11263 126.4
[M+HCOO]- 186.11357 152.0
[M+CH3COO]- 200.12922 172.5
[M+Na-2H]- 162.09004 134.3
[M]+ 141.11482 129.2
[M]- 141.11592 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.