CID 10944016

1-[2-(propan-2-yloxy)phenyl]piperazine

Structural Information

Molecular Formula
C13H20N2O
SMILES
CC(C)OC1=CC=CC=C1N2CCNCC2
InChI
InChI=1S/C13H20N2O/c1-11(2)16-13-6-4-3-5-12(13)15-9-7-14-8-10-15/h3-6,11,14H,7-10H2,1-2H3
InChIKey
QJULELIONYLITF-UHFFFAOYSA-N
Compound name
1-(2-propan-2-yloxyphenyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

197
Patents

220.15756 Da
Monoisotopic Mass

2.2
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

literature stripe

Patent stripe

patents stripe