CID 106741458

1698729-14-4

Structural Information

Molecular Formula
C10H14N2O2
SMILES
CC#CC(=O)N1CCNC(=O)C1(C)C
InChI
InChI=1S/C10H14N2O2/c1-4-5-8(13)12-7-6-11-9(14)10(12,2)3/h6-7H2,1-3H3,(H,11,14)
InChIKey
ZNKZIUOFUDECHW-UHFFFAOYSA-N
Compound name
4-but-2-ynoyl-3,3-dimethylpiperazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.10553 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.11281 143.3
[M+Na]+ 217.09475 153.1
[M+NH4]+ 212.13935 147.1
[M+K]+ 233.06869 144.0
[M-H]- 193.09825 134.3
[M+Na-2H]- 215.08020 144.5
[M]+ 194.10498 141.1
[M]- 194.10608 141.1
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

No patent data available for this compound.