CID 16740779

3-(piperazin-2-yl)phenol

Structural Information

Molecular Formula
C10H14N2O
SMILES
C1CNC(CN1)C2=CC(=CC=C2)O
InChI
InChI=1S/C10H14N2O/c13-9-3-1-2-8(6-9)10-7-11-4-5-12-10/h1-3,6,10-13H,4-5,7H2
InChIKey
DCIVTGUMDABITM-UHFFFAOYSA-N
Compound name
3-piperazin-2-ylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

178.11061 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.11789 140.5
[M+Na]+ 201.09983 145.4
[M-H]- 177.10333 139.6
[M+NH4]+ 196.14443 155.3
[M+K]+ 217.07377 140.6
[M+H-H2O]+ 161.10787 132.9
[M+HCOO]- 223.10881 154.9
[M+CH3COO]- 237.12446 150.5
[M+Na-2H]- 199.08528 145.6
[M]+ 178.11006 131.2
[M]- 178.11116 131.2
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