CID 24697214

1016890-32-6

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

0
Patents

248.15248 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.15976 163.3
[M+Na]+ 271.14170 170.7
[M-H]- 247.14520 170.7
[M+NH4]+ 266.18630 171.6
[M+K]+ 287.11564 168.3
[M+H-H2O]+ 231.14974 153.3
[M+HCOO]- 293.15068 180.8
[M+CH3COO]- 307.16633 173.7
[M+Na-2H]- 269.12715 167.3
[M]+ 248.15193 164.2
[M]- 248.15303 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