CID 686674

55135-12-1

Structural Information

Molecular Formula
C12H12N2O2
SMILES
C1CNC(=O)/C(=C/C(=O)C2=CC=CC=C2)/N1
InChI
InChI=1S/C12H12N2O2/c15-11(9-4-2-1-3-5-9)8-10-12(16)14-7-6-13-10/h1-5,8,13H,6-7H2,(H,14,16)/b10-8-
InChIKey
RLNGHWOGDGZTQI-NTMALXAHSA-N
Compound name
(3Z)-3-phenacylidenepiperazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

216.08987 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.097146 149.0
[M+Na]+ 239.079088 154.1
[M-H]- 215.082594 149.4
[M+NH4]+ 234.123693 162.6
[M+K]+ 255.053028 148.9
[M+H-H2O]+ 199.087130 140.8
[M+HCOO]- 261.088071 164.1
[M+CH3COO]- 275.103721 180.3
[M+Na-2H]- 237.064536 152.3
[M]+ 216.08932142 140.8
[M]- 216.09041858 140.8
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

No patent data available for this compound.