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]+ 233.128466 153.2
[M+Na]+ 255.110408 159.3
[M-H]- 231.113914 156.5
[M+NH4]+ 250.155013 168.0
[M+K]+ 271.084348 156.3
[M+H-H2O]+ 215.118450 144.4
[M+HCOO]- 277.119391 170.7
[M+CH3COO]- 291.135041 190.3
[M+Na-2H]- 253.095856 156.2
[M]+ 232.12064142 150.1
[M]- 232.12173858 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.