CID 233187

1-(2-phenoxyethyl)piperazine

Structural Information

Molecular Formula
C12H18N2O
SMILES
C1CN(CCN1)CCOC2=CC=CC=C2
InChI
InChI=1S/C12H18N2O/c1-2-4-12(5-3-1)15-11-10-14-8-6-13-7-9-14/h1-5,13H,6-11H2
InChIKey
PTJSLCXRMMGRLY-UHFFFAOYSA-N
Compound name
1-(2-phenoxyethyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

179
Patents

206.1419 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.149176 148.0
[M+Na]+ 229.131118 151.8
[M-H]- 205.134624 149.0
[M+NH4]+ 224.175723 162.7
[M+K]+ 245.105058 148.3
[M+H-H2O]+ 189.139160 139.0
[M+HCOO]- 251.140101 164.7
[M+CH3COO]- 265.155751 181.8
[M+Na-2H]- 227.116566 153.7
[M]+ 206.14135142 142.5
[M]- 206.14244858 142.5
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