CID 2063919

1-[(2,5-dimethoxyphenyl)methyl]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

28
Patents

236.15248 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.159756 156.0
[M+Na]+ 259.141698 161.2
[M-H]- 235.145204 157.7
[M+NH4]+ 254.186303 170.1
[M+K]+ 275.115638 158.0
[M+H-H2O]+ 219.149740 147.1
[M+HCOO]- 281.150681 172.6
[M+CH3COO]- 295.166331 189.2
[M+Na-2H]- 257.127146 159.6
[M]+ 236.15193142 153.1
[M]- 236.15302858 153.1
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