CID 20069953

2-(2,2-dimethylpiperazin-1-yl)ethan-1-ol

Structural Information

Molecular Formula
C8H18N2O
SMILES
CC1(CNCCN1CCO)C
InChI
InChI=1S/C8H18N2O/c1-8(2)7-9-3-4-10(8)5-6-11/h9,11H,3-7H2,1-2H3
InChIKey
HKNCZKGCUSCZPL-UHFFFAOYSA-N
Compound name
2-(2,2-dimethylpiperazin-1-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

158.1419 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.14918 138.3
[M+Na]+ 181.13112 144.0
[M-H]- 157.13462 135.8
[M+NH4]+ 176.17572 157.2
[M+K]+ 197.10506 141.9
[M+H-H2O]+ 141.13916 132.4
[M+HCOO]- 203.14010 153.4
[M+CH3COO]- 217.15575 172.2
[M+Na-2H]- 179.11657 143.3
[M]+ 158.14135 132.9
[M]- 158.14245 132.9
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