CID 59789842

2-chloro-4-(4-methylpiperazino)benzaldehyde

Structural Information

Molecular Formula
C12H15ClN2O
SMILES
CN1CCN(CC1)C2=CC(=C(C=C2)C=O)Cl
InChI
InChI=1S/C12H15ClN2O/c1-14-4-6-15(7-5-14)11-3-2-10(9-16)12(13)8-11/h2-3,8-9H,4-7H2,1H3
InChIKey
JHKAOEWIJKITLH-UHFFFAOYSA-N
Compound name
2-chloro-4-(4-methylpiperazin-1-yl)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

238.0873 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.09458 152.3
[M+Na]+ 261.07652 167.0
[M+NH4]+ 256.12112 160.9
[M+K]+ 277.05046 159.0
[M-H]- 237.08002 155.7
[M+Na-2H]- 259.06197 159.8
[M]+ 238.08675 155.7
[M]- 238.08785 155.7
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