CID 53407152

1-[2-(2-methoxyethoxy)phenyl]piperazine dihydrochloride

Structural Information

Molecular Formula
C13H20N2O2
SMILES
COCCOC1=CC=CC=C1N2CCNCC2
InChI
InChI=1S/C13H20N2O2/c1-16-10-11-17-13-5-3-2-4-12(13)15-8-6-14-7-9-15/h2-5,14H,6-11H2,1H3
InChIKey
NFRLINULGVNEBU-UHFFFAOYSA-N
Compound name
1-[2-(2-methoxyethoxy)phenyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.15248 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.15976 155.7
[M+Na]+ 259.14170 159.9
[M-H]- 235.14520 156.9
[M+NH4]+ 254.18630 169.4
[M+K]+ 275.11564 156.7
[M+H-H2O]+ 219.14974 146.5
[M+HCOO]- 281.15068 172.3
[M+CH3COO]- 295.16633 188.0
[M+Na-2H]- 257.12715 160.1
[M]+ 236.15193 152.4
[M]- 236.15303 152.4
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