CID 7164651

4-[(4-methylpiperazin-1-yl)methyl]benzaldehyde

Structural Information

Molecular Formula
C13H18N2O
SMILES
CN1CCN(CC1)CC2=CC=C(C=C2)C=O
InChI
InChI=1S/C13H18N2O/c1-14-6-8-15(9-7-14)10-12-2-4-13(11-16)5-3-12/h2-5,11H,6-10H2,1H3
InChIKey
DJJFKXUSAXIMLS-UHFFFAOYSA-N
Compound name
4-[(4-methylpiperazin-1-yl)methyl]benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

121
Patents

218.1419 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.14918 151.2
[M+Na]+ 241.13112 157.3
[M-H]- 217.13462 154.3
[M+NH4]+ 236.17572 166.7
[M+K]+ 257.10506 153.8
[M+H-H2O]+ 201.13916 142.3
[M+HCOO]- 263.14010 169.3
[M+CH3COO]- 277.15575 188.8
[M+Na-2H]- 239.11657 155.3
[M]+ 218.14135 148.1
[M]- 218.14245 148.1
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