CID 96700

1-piperazineethanol, 4-o-tolyl-

Structural Information

Molecular Formula
C13H20N2O
SMILES
CC1=CC=CC=C1N2CCN(CC2)CCO
InChI
InChI=1S/C13H20N2O/c1-12-4-2-3-5-13(12)15-8-6-14(7-9-15)10-11-16/h2-5,16H,6-11H2,1H3
InChIKey
DAUYTSOWJCAVPG-UHFFFAOYSA-N
Compound name
2-[4-(2-methylphenyl)piperazin-1-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

220.15756 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.16484 153.0
[M+Na]+ 243.14678 158.4
[M-H]- 219.15028 154.7
[M+NH4]+ 238.19138 167.9
[M+K]+ 259.12072 154.6
[M+H-H2O]+ 203.15482 144.4
[M+HCOO]- 265.15576 169.4
[M+CH3COO]- 279.17141 187.1
[M+Na-2H]- 241.13223 156.6
[M]+ 220.15701 148.7
[M]- 220.15811 148.7
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