CID 2723775

1-(3-methoxyphenyl)-2-methylpiperazine

Structural Information

Molecular Formula
C12H18N2O
SMILES
CC1CNCCN1C2=CC(=CC=C2)OC
InChI
InChI=1S/C12H18N2O/c1-10-9-13-6-7-14(10)11-4-3-5-12(8-11)15-2/h3-5,8,10,13H,6-7,9H2,1-2H3
InChIKey
VIUHJEYRGSUXOI-UHFFFAOYSA-N
Compound name
1-(3-methoxyphenyl)-2-methylpiperazine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

60
Patents

206.1419 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.149176 148.5
[M+Na]+ 229.131118 154.4
[M-H]- 205.134624 150.4
[M+NH4]+ 224.175723 164.0
[M+K]+ 245.105058 150.8
[M+H-H2O]+ 189.139160 140.1
[M+HCOO]- 251.140101 165.3
[M+CH3COO]- 265.155751 184.1
[M+Na-2H]- 227.116566 152.7
[M]+ 206.14135142 143.9
[M]- 206.14244858 143.9
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