CID 93500290

1258073-92-5

Structural Information

Molecular Formula
C8H18N2O
SMILES
C[C@@H]1CNC[C@@H](N1CCO)C
InChI
InChI=1S/C8H18N2O/c1-7-5-9-6-8(2)10(7)3-4-11/h7-9,11H,3-6H2,1-2H3/t7-,8+
InChIKey
DKRGVNOXWNPGBV-OCAPTIKFSA-N
Compound name
2-[(2R,6S)-2,6-dimethylpiperazin-1-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

158.1419 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.149176 139.0
[M+Na]+ 181.131118 144.8
[M-H]- 157.134624 136.5
[M+NH4]+ 176.175723 156.2
[M+K]+ 197.105058 142.3
[M+H-H2O]+ 141.139160 132.5
[M+HCOO]- 203.140101 154.0
[M+CH3COO]- 217.155751 173.8
[M+Na-2H]- 179.116566 142.2
[M]+ 158.14135142 133.7
[M]- 158.14244858 133.7
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