CID 736533

27913-99-1

Structural Information

Molecular Formula

C₁₂H₁₆N₂O

SMILES

CN1CCN(CC1)C2=CC=C(C=C2)C=O

InChI

InChI=1S/C12H16N2O/c1-13-6-8-14(9-7-13)12-4-2-11(10-15)3-5-12/h2-5,10H,6-9H2,1H3

InChIKey

PFODEVGLOVUVHS-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 624
Patents: 204.12627 Da
Monoisotopic Mass: 1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	205.13355	147.4
[M+Na]+	227.11549	160.9
[M+NH4]+	222.16009	155.7
[M+K]+	243.08943	153.5
[M-H]-	203.11899	150.7
[M+Na-2H]-	225.10094	155.0
[M]+	204.12572	150.2
[M]-	204.12682	150.2

Literature stripe

literature stripe

Patent stripe

patents stripe