CID 54592967

2-(3-methylphenyl)-2-(piperazin-1-yl)ethan-1-ol

Structural Information

Molecular Formula
C13H20N2O
SMILES
CC1=CC(=CC=C1)C(CO)N2CCNCC2
InChI
InChI=1S/C13H20N2O/c1-11-3-2-4-12(9-11)13(10-16)15-7-5-14-6-8-15/h2-4,9,13-14,16H,5-8,10H2,1H3
InChIKey
KNVPXFDWGVBHFO-UHFFFAOYSA-N
Compound name
2-(3-methylphenyl)-2-piperazin-1-ylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.15756 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.16484 153.6
[M+Na]+ 243.14678 165.0
[M+NH4]+ 238.19138 161.2
[M+K]+ 259.12072 158.7
[M-H]- 219.15028 155.8
[M+Na-2H]- 241.13223 159.7
[M]+ 220.15701 155.6
[M]- 220.15811 155.6
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

No patent data available for this compound.