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-[(2S,6R)-2,6-dimethylpiperazin-1-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

158.1419 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.14918 139.0
[M+Na]+ 181.13112 144.8
[M-H]- 157.13462 136.5
[M+NH4]+ 176.17572 156.2
[M+K]+ 197.10506 142.3
[M+H-H2O]+ 141.13916 132.5
[M+HCOO]- 203.14010 154.0
[M+CH3COO]- 217.15575 173.8
[M+Na-2H]- 179.11657 142.2
[M]+ 158.14135 133.7
[M]- 158.14245 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