CID 193422

61133-53-7

Structural Information

Molecular Formula
C10H14N2O2
SMILES
C=CC(=O)N1CCN(CC1)C(=O)C=C
InChI
InChI=1S/C10H14N2O2/c1-3-9(13)11-5-7-12(8-6-11)10(14)4-2/h3-4H,1-2,5-8H2
InChIKey
YERHJBPPDGHCRJ-UHFFFAOYSA-N
Compound name
1-(4-prop-2-enoylpiperazin-1-yl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

2083
Patents

194.10553 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.11281 143.8
[M+Na]+ 217.09475 149.5
[M-H]- 193.09825 143.8
[M+NH4]+ 212.13935 160.3
[M+K]+ 233.06869 147.4
[M+H-H2O]+ 177.10279 136.7
[M+HCOO]- 239.10373 160.4
[M+CH3COO]- 253.11938 182.9
[M+Na-2H]- 215.08020 145.5
[M]+ 194.10498 139.9
[M]- 194.10608 139.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe