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 140.8
[M+Na]+ 217.09475 150.0
[M-H]- 193.09825 139.0
[M+NH4]+ 212.13935 157.0
[M+K]+ 233.06869 146.2
[M+H-H2O]+ 177.10279 129.0
[M+HCOO]- 239.10373 151.5
[M+CH3COO]- 253.11938 188.5
[M+Na-2H]- 215.08020 143.2
[M]+ 194.10498 132.1
[M]- 194.10608 132.1
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.