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

8
Patents

220.15756 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.164836 152.9
[M+Na]+ 243.146778 157.0
[M-H]- 219.150284 154.3
[M+NH4]+ 238.191383 167.4
[M+K]+ 259.120718 153.8
[M+H-H2O]+ 203.154820 144.2
[M+HCOO]- 265.155761 168.3
[M+CH3COO]- 279.171411 186.8
[M+Na-2H]- 241.132226 156.1
[M]+ 220.15701142 147.6
[M]- 220.15810858 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