CID 13742939

1-(4-methylpiperazin-1-yl)prop-2-en-1-one

Structural Information

Molecular Formula
C8H14N2O
SMILES
CN1CCN(CC1)C(=O)C=C
InChI
InChI=1S/C8H14N2O/c1-3-8(11)10-6-4-9(2)5-7-10/h3H,1,4-7H2,2H3
InChIKey
YVNNRQCAABDUMX-UHFFFAOYSA-N
Compound name
1-(4-methylpiperazin-1-yl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

539
Patents

154.11061 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.117886 134.8
[M+Na]+ 177.099828 140.9
[M-H]- 153.103334 134.9
[M+NH4]+ 172.144433 153.1
[M+K]+ 193.073768 139.6
[M+H-H2O]+ 137.107870 127.8
[M+HCOO]- 199.108811 152.3
[M+CH3COO]- 213.124461 176.3
[M+Na-2H]- 175.085276 138.6
[M]+ 154.11006142 130.8
[M]- 154.11115858 130.8
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