CID 40428517

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

Structural Information

Molecular Formula
C13H18N2O
SMILES
CCN1CCN(CC1)C2=CC=CC=C2C=O
InChI
InChI=1S/C13H18N2O/c1-2-14-7-9-15(10-8-14)13-6-4-3-5-12(13)11-16/h3-6,11H,2,7-10H2,1H3
InChIKey
PCAHVXDDADHPLQ-UHFFFAOYSA-N
Compound name
2-(4-ethylpiperazin-1-yl)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

218.1419 Da
Monoisotopic Mass

1.7
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

literature stripe

Patent stripe

patents stripe