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

469
Patents

222.13683 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.14411 151.5
[M+Na]+ 245.12605 157.2
[M-H]- 221.12955 153.4
[M+NH4]+ 240.17065 166.2
[M+K]+ 261.09999 154.3
[M+H-H2O]+ 205.13409 142.9
[M+HCOO]- 267.13503 168.5
[M+CH3COO]- 281.15068 186.2
[M+Na-2H]- 243.11150 155.7
[M]+ 222.13628 148.3
[M]- 222.13738 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