CID 288570

1,4,4-trimethylpyrazolidin-3-one

Structural Information

Molecular Formula
C6H12N2O
SMILES
CC1(CN(NC1=O)C)C
InChI
InChI=1S/C6H12N2O/c1-6(2)4-8(3)7-5(6)9/h4H2,1-3H3,(H,7,9)
InChIKey
FVVIPBGQIIHCDP-UHFFFAOYSA-N
Compound name
1,4,4-trimethylpyrazolidin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

128.09496 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.10224 127.5
[M+Na]+ 151.08418 137.6
[M+NH4]+ 146.12878 136.3
[M+K]+ 167.05812 132.8
[M-H]- 127.08768 126.7
[M+Na-2H]- 149.06963 132.2
[M]+ 128.09441 128.5
[M]- 128.09551 128.5
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