CID 28603718

2-(4-acetylpiperazin-1-yl)benzaldehyde

Structural Information

Molecular Formula
C13H16N2O2
SMILES
CC(=O)N1CCN(CC1)C2=CC=CC=C2C=O
InChI
InChI=1S/C13H16N2O2/c1-11(17)14-6-8-15(9-7-14)13-5-3-2-4-12(13)10-16/h2-5,10H,6-9H2,1H3
InChIKey
KFKXHZVBHCEHSS-UHFFFAOYSA-N
Compound name
2-(4-acetylpiperazin-1-yl)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.12119 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.12847 153.2
[M+Na]+ 255.11041 159.3
[M-H]- 231.11391 156.5
[M+NH4]+ 250.15501 168.0
[M+K]+ 271.08435 156.3
[M+H-H2O]+ 215.11845 144.4
[M+HCOO]- 277.11939 170.7
[M+CH3COO]- 291.13504 190.3
[M+Na-2H]- 253.09586 156.2
[M]+ 232.12064 150.1
[M]- 232.12174 150.1
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.