CID 2736207

1-(3,4-dimethoxyphenyl)piperazine hydrochloride

Structural Information

Molecular Formula
C12H18N2O2
SMILES
COC1=C(C=C(C=C1)N2CCNCC2)OC
InChI
InChI=1S/C12H18N2O2/c1-15-11-4-3-10(9-12(11)16-2)14-7-5-13-6-8-14/h3-4,9,13H,5-8H2,1-2H3
InChIKey
XYJCQRIUCCQSKC-UHFFFAOYSA-N
Compound name
1-(3,4-dimethoxyphenyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

521
Patents

222.13683 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.144106 151.5
[M+Na]+ 245.126048 157.2
[M-H]- 221.129554 153.4
[M+NH4]+ 240.170653 166.2
[M+K]+ 261.099988 154.3
[M+H-H2O]+ 205.134090 142.9
[M+HCOO]- 267.135031 168.5
[M+CH3COO]- 281.150681 186.2
[M+Na-2H]- 243.111496 155.7
[M]+ 222.13628142 148.3
[M]- 222.13737858 148.3
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