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

2
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 125.3
[M+Na]+ 151.08418 134.5
[M-H]- 127.08768 125.3
[M+NH4]+ 146.12878 148.3
[M+K]+ 167.05812 133.2
[M+H-H2O]+ 111.09222 120.3
[M+HCOO]- 173.09316 145.0
[M+CH3COO]- 187.10881 168.8
[M+Na-2H]- 149.06963 130.1
[M]+ 128.09441 122.9
[M]- 128.09551 122.9
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