CID 20577844

5-(2-methylpropanoyl)pyrrolidin-2-one

Structural Information

Molecular Formula
C8H13NO2
SMILES
CC(C)C(=O)C1CCC(=O)N1
InChI
InChI=1S/C8H13NO2/c1-5(2)8(11)6-3-4-7(10)9-6/h5-6H,3-4H2,1-2H3,(H,9,10)
InChIKey
RFVFIDVLYBMKMD-UHFFFAOYSA-N
Compound name
5-(2-methylpropanoyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

155.09464 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.101916 134.6
[M+Na]+ 178.083858 140.8
[M-H]- 154.087364 135.2
[M+NH4]+ 173.128463 155.2
[M+K]+ 194.057798 139.6
[M+H-H2O]+ 138.091900 129.1
[M+HCOO]- 200.092841 153.3
[M+CH3COO]- 214.108491 174.2
[M+Na-2H]- 176.069306 135.3
[M]+ 155.09409142 131.1
[M]- 155.09518858 131.1
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

patents stripe