CID 689098

Einecs 267-750-0

Structural Information

Molecular Formula
C13H20N2O
SMILES
CC(C)N1CCN(CC1)C2=CC=C(C=C2)O
InChI
InChI=1S/C13H20N2O/c1-11(2)14-7-9-15(10-8-14)12-3-5-13(16)6-4-12/h3-6,11,16H,7-10H2,1-2H3
InChIKey
BMBPGRMBBHKAEP-UHFFFAOYSA-N
Compound name
4-(4-propan-2-ylpiperazin-1-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

49
Patents

220.15756 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.16484 152.9
[M+Na]+ 243.14678 158.1
[M-H]- 219.15028 154.8
[M+NH4]+ 238.19138 167.8
[M+K]+ 259.12072 154.8
[M+H-H2O]+ 203.15482 144.5
[M+HCOO]- 265.15576 168.4
[M+CH3COO]- 279.17141 188.0
[M+Na-2H]- 241.13223 155.4
[M]+ 220.15701 148.1
[M]- 220.15811 148.1
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