CID 28603582

2-chloro-6-(4-methylpiperazin-1-yl)benzaldehyde

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
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 152.7
[M+Na]+ 261.07652 160.9
[M-H]- 237.08002 156.1
[M+NH4]+ 256.12112 168.6
[M+K]+ 277.05046 155.9
[M+H-H2O]+ 221.08456 144.6
[M+HCOO]- 283.08550 166.4
[M+CH3COO]- 297.10115 190.7
[M+Na-2H]- 259.06197 156.1
[M]+ 238.08675 151.6
[M]- 238.08785 151.6
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