CID 68224907

4-methyl-1-(propan-2-yl)pyrrolidin-3-one

Structural Information

Molecular Formula
C8H15NO
SMILES
CC1CN(CC1=O)C(C)C
InChI
InChI=1S/C8H15NO/c1-6(2)9-4-7(3)8(10)5-9/h6-7H,4-5H2,1-3H3
InChIKey
MFXZUGAMWWFCLS-UHFFFAOYSA-N
Compound name
4-methyl-1-propan-2-ylpyrrolidin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

141.11537 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.122646 130.9
[M+Na]+ 164.104588 138.5
[M-H]- 140.108094 133.2
[M+NH4]+ 159.149193 153.4
[M+K]+ 180.078528 137.9
[M+H-H2O]+ 124.112630 125.5
[M+HCOO]- 186.113571 151.7
[M+CH3COO]- 200.129221 176.1
[M+Na-2H]- 162.090036 132.8
[M]+ 141.11482142 129.6
[M]- 141.11591858 129.6
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