CID 56788563

2-(4-(1-(4-bromophenyl)ethyl)piperazin-1-yl)ethanol

Structural Information

Molecular Formula
C14H21BrN2O
SMILES
CC(C1=CC=C(C=C1)Br)N2CCN(CC2)CCO
InChI
InChI=1S/C14H21BrN2O/c1-12(13-2-4-14(15)5-3-13)17-8-6-16(7-9-17)10-11-18/h2-5,12,18H,6-11H2,1H3
InChIKey
KTLMBAWFWFODKO-UHFFFAOYSA-N
Compound name
2-[4-[1-(4-bromophenyl)ethyl]piperazin-1-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.08374 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.09102 167.0
[M+Na]+ 335.07296 174.6
[M-H]- 311.07646 171.2
[M+NH4]+ 330.11756 182.0
[M+K]+ 351.04690 162.7
[M+H-H2O]+ 295.08100 164.9
[M+HCOO]- 357.08194 180.1
[M+CH3COO]- 371.09759 200.2
[M+Na-2H]- 333.05841 170.0
[M]+ 312.08319 181.5
[M]- 312.08429 181.5
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.