CID 2795566

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

Structural Information

Molecular Formula
C12H16N2O
SMILES
CN1CCN(CC1)C2=CC=CC=C2C=O
InChI
InChI=1S/C12H16N2O/c1-13-6-8-14(9-7-13)12-5-3-2-4-11(12)10-15/h2-5,10H,6-9H2,1H3
InChIKey
GSRYZPWIWYYROI-UHFFFAOYSA-N
Compound name
2-(4-methylpiperazin-1-yl)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

248
Patents

204.12627 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.13355 146.7
[M+Na]+ 227.11549 153.2
[M-H]- 203.11899 150.0
[M+NH4]+ 222.16009 162.8
[M+K]+ 243.08943 150.0
[M+H-H2O]+ 187.12353 138.0
[M+HCOO]- 249.12447 165.1
[M+CH3COO]- 263.14012 185.8
[M+Na-2H]- 225.10094 151.3
[M]+ 204.12572 143.2
[M]- 204.12682 143.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe