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]+ 142.12265 130.9
[M+Na]+ 164.10459 138.5
[M-H]- 140.10809 133.2
[M+NH4]+ 159.14919 153.4
[M+K]+ 180.07853 137.9
[M+H-H2O]+ 124.11263 125.5
[M+HCOO]- 186.11357 151.7
[M+CH3COO]- 200.12922 176.1
[M+Na-2H]- 162.09004 132.8
[M]+ 141.11482 129.6
[M]- 141.11592 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