CID 3935315

1-[1-(2-methoxyphenyl)ethyl]piperazine

Structural Information

Molecular Formula
C13H20N2O
SMILES
CC(C1=CC=CC=C1OC)N2CCNCC2
InChI
InChI=1S/C13H20N2O/c1-11(15-9-7-14-8-10-15)12-5-3-4-6-13(12)16-2/h3-6,11,14H,7-10H2,1-2H3
InChIKey
SCYBWJSKOWKSRR-UHFFFAOYSA-N
Compound name
1-[1-(2-methoxyphenyl)ethyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
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

literature stripe

Patent stripe

patents stripe