CID 6485408

2-[4-(2-amino-phenyl)-piperazin-1-yl]-ethanol

Structural Information

Molecular Formula
C12H19N3O
SMILES
C1CN(CCN1CCO)C2=CC=CC=C2N
InChI
InChI=1S/C12H19N3O/c13-11-3-1-2-4-12(11)15-7-5-14(6-8-15)9-10-16/h1-4,16H,5-10,13H2
InChIKey
YZRHRBADADYIFX-UHFFFAOYSA-N
Compound name
2-[4-(2-aminophenyl)piperazin-1-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

221.15282 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.16010 152.5
[M+Na]+ 244.14204 157.4
[M-H]- 220.14554 153.8
[M+NH4]+ 239.18664 166.7
[M+K]+ 260.11598 153.5
[M+H-H2O]+ 204.15008 143.7
[M+HCOO]- 266.15102 169.6
[M+CH3COO]- 280.16667 188.4
[M+Na-2H]- 242.12749 156.1
[M]+ 221.15227 146.2
[M]- 221.15337 146.2
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