CID 894310

1-[2-(4-chlorophenoxy)ethyl]piperazine

Structural Information

Molecular Formula
C12H17ClN2O
SMILES
C1CN(CCN1)CCOC2=CC=C(C=C2)Cl
InChI
InChI=1S/C12H17ClN2O/c13-11-1-3-12(4-2-11)16-10-9-15-7-5-14-6-8-15/h1-4,14H,5-10H2
InChIKey
DTOPBQLBZBMIFT-UHFFFAOYSA-N
Compound name
1-[2-(4-chlorophenoxy)ethyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

21
Patents

240.10294 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.11022 153.8
[M+Na]+ 263.09216 159.3
[M-H]- 239.09566 154.9
[M+NH4]+ 258.13676 168.3
[M+K]+ 279.06610 154.0
[M+H-H2O]+ 223.10020 145.4
[M+HCOO]- 285.10114 165.8
[M+CH3COO]- 299.11679 186.7
[M+Na-2H]- 261.07761 158.2
[M]+ 240.10239 150.7
[M]- 240.10349 150.7
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