CID 5153594

1-[1-(3-methoxyphenyl)ethyl]piperazine

Structural Information

Molecular Formula
C13H20N2O
SMILES
CC(C1=CC(=CC=C1)OC)N2CCNCC2
InChI
InChI=1S/C13H20N2O/c1-11(15-8-6-14-7-9-15)12-4-3-5-13(10-12)16-2/h3-5,10-11,14H,6-9H2,1-2H3
InChIKey
WQVUGNKAOOHKAL-UHFFFAOYSA-N
Compound name
1-[1-(3-methoxyphenyl)ethyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

220.15756 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.16484 152.9
[M+Na]+ 243.14678 157.0
[M-H]- 219.15028 154.3
[M+NH4]+ 238.19138 167.4
[M+K]+ 259.12072 153.8
[M+H-H2O]+ 203.15482 144.2
[M+HCOO]- 265.15576 168.3
[M+CH3COO]- 279.17141 186.8
[M+Na-2H]- 241.13223 156.1
[M]+ 220.15701 147.6
[M]- 220.15811 147.6
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