CID 2063919

1-(2,5-dimethoxybenzyl)piperazine hydrochloride

Structural Information

Molecular Formula
C13H20N2O2
SMILES
COC1=CC(=C(C=C1)OC)CN2CCNCC2
InChI
InChI=1S/C13H20N2O2/c1-16-12-3-4-13(17-2)11(9-12)10-15-7-5-14-6-8-15/h3-4,9,14H,5-8,10H2,1-2H3
InChIKey
KITIJFNTLBMYQD-UHFFFAOYSA-N
Compound name
1-[(2,5-dimethoxyphenyl)methyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

236.15248 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.15976 156.3
[M+Na]+ 259.14170 168.5
[M+NH4]+ 254.18630 163.7
[M+K]+ 275.11564 161.7
[M-H]- 235.14520 158.7
[M+Na-2H]- 257.12715 162.6
[M]+ 236.15193 158.5
[M]- 236.15303 158.5
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