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 154.1
[M+Na]+ 263.09216 160.6
[M-H]- 239.09566 155.6
[M+NH4]+ 258.13676 168.9
[M+K]+ 279.06610 155.3
[M+H-H2O]+ 223.10020 146.0
[M+HCOO]- 285.10114 166.1
[M+CH3COO]- 299.11679 187.8
[M+Na-2H]- 261.07761 157.8
[M]+ 240.10239 151.4
[M]- 240.10349 151.4
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