CID 96703

1-piperazineethanol, 4-(3-chlorophenyl)-

Structural Information

Molecular Formula
C12H17ClN2O
SMILES
C1CN(CCN1CCO)C2=CC(=CC=C2)Cl
InChI
InChI=1S/C12H17ClN2O/c13-11-2-1-3-12(10-11)15-6-4-14(5-7-15)8-9-16/h1-3,10,16H,4-9H2
InChIKey
HYPXXPJLGDQJDV-UHFFFAOYSA-N
Compound name
2-[4-(3-chlorophenyl)piperazin-1-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

15
Patents

240.10294 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.11022 153.9
[M+Na]+ 263.09216 167.6
[M+NH4]+ 258.13676 162.3
[M+K]+ 279.06610 159.7
[M-H]- 239.09566 156.9
[M+Na-2H]- 261.07761 161.0
[M]+ 240.10239 156.9
[M]- 240.10349 156.9
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