CID 21363864

2-[4-piperazin-1-ylphenoxy]-ethanol

Structural Information

Molecular Formula
C12H18N2O2
SMILES
C1CN(CCN1)C2=CC=C(C=C2)OCCO
InChI
InChI=1S/C12H18N2O2/c15-9-10-16-12-3-1-11(2-4-12)14-7-5-13-6-8-14/h1-4,13,15H,5-10H2
InChIKey
CPOICVAPALTGRB-UHFFFAOYSA-N
Compound name
2-(4-piperazin-1-ylphenoxy)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

222.13683 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.14411 151.6
[M+Na]+ 245.12605 155.9
[M-H]- 221.12955 151.7
[M+NH4]+ 240.17065 165.3
[M+K]+ 261.09999 152.1
[M+H-H2O]+ 205.13409 143.0
[M+HCOO]- 267.13503 167.1
[M+CH3COO]- 281.15068 182.5
[M+Na-2H]- 243.11150 156.1
[M]+ 222.13628 146.2
[M]- 222.13738 146.2
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