CID 13666934

4-piperazin-1-ylbenzaldehyde

Structural Information

Molecular Formula
C11H14N2O
SMILES
C1CN(CCN1)C2=CC=C(C=C2)C=O
InChI
InChI=1S/C11H14N2O/c14-9-10-1-3-11(4-2-10)13-7-5-12-6-8-13/h1-4,9,12H,5-8H2
InChIKey
BTTAIIUFVILNAC-UHFFFAOYSA-N
Compound name
4-piperazin-1-ylbenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

209
Patents

190.11061 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.117886 142.8
[M+Na]+ 213.099828 148.4
[M-H]- 189.103334 144.5
[M+NH4]+ 208.144433 158.4
[M+K]+ 229.073768 144.5
[M+H-H2O]+ 173.107870 134.4
[M+HCOO]- 235.108811 160.1
[M+CH3COO]- 249.124461 179.1
[M+Na-2H]- 211.085276 148.3
[M]+ 190.11006142 136.7
[M]- 190.11115858 136.7
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

patents stripe