CID 202144

7550-29-0

Structural Information

Molecular Formula
C13H19ClN2O
SMILES
CN1CCN(CC1)C(CO)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C13H19ClN2O/c1-15-6-8-16(9-7-15)13(10-17)11-2-4-12(14)5-3-11/h2-5,13,17H,6-10H2,1H3
InChIKey
DJMFKMXCIHPVOK-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.11859 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.12587 158.3
[M+Na]+ 277.10781 164.0
[M-H]- 253.11131 159.8
[M+NH4]+ 272.15241 172.5
[M+K]+ 293.08175 159.1
[M+H-H2O]+ 237.11585 150.2
[M+HCOO]- 299.11679 169.0
[M+CH3COO]- 313.13244 191.7
[M+Na-2H]- 275.09326 160.3
[M]+ 254.11804 155.4
[M]- 254.11914 155.4
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

No patent data available for this compound.