CID 15391879

4-chloro-3-(4-methylpiperazin-1-yl)phenol

Structural Information

Molecular Formula
C11H15ClN2O
SMILES
CN1CCN(CC1)C2=C(C=CC(=C2)O)Cl
InChI
InChI=1S/C11H15ClN2O/c1-13-4-6-14(7-5-13)11-8-9(15)2-3-10(11)12/h2-3,8,15H,4-7H2,1H3
InChIKey
RDWCODLWDARAGP-UHFFFAOYSA-N
Compound name
4-chloro-3-(4-methylpiperazin-1-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

226.0873 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.09458 149.7
[M+Na]+ 249.07652 157.6
[M-H]- 225.08002 151.9
[M+NH4]+ 244.12112 165.5
[M+K]+ 265.05046 152.7
[M+H-H2O]+ 209.08456 142.2
[M+HCOO]- 271.08550 162.1
[M+CH3COO]- 285.10115 186.0
[M+Na-2H]- 247.06197 153.2
[M]+ 226.08675 147.1
[M]- 226.08785 147.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe