CID 24697214

1-(2-methoxyphenyl)-4-[(oxiran-2-yl)methyl]piperazine

Structural Information

Molecular Formula
C14H20N2O2
SMILES
COC1=CC=CC=C1N2CCN(CC2)CC3CO3
InChI
InChI=1S/C14H20N2O2/c1-17-14-5-3-2-4-13(14)16-8-6-15(7-9-16)10-12-11-18-12/h2-5,12H,6-11H2,1H3
InChIKey
OCXUZXFYKMTQNS-UHFFFAOYSA-N
Compound name
1-(2-methoxyphenyl)-4-(oxiran-2-ylmethyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

248.15248 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.159756 163.3
[M+Na]+ 271.141698 170.7
[M-H]- 247.145204 170.7
[M+NH4]+ 266.186303 171.6
[M+K]+ 287.115638 168.3
[M+H-H2O]+ 231.149740 153.3
[M+HCOO]- 293.150681 180.8
[M+CH3COO]- 307.166331 173.7
[M+Na-2H]- 269.127146 167.3
[M]+ 248.15193142 164.2
[M]- 248.15302858 164.2
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