CID 64571

1-piperazineethanol, 4-(1-adamantylmethyl)-

Structural Information

Molecular Formula
C17H30N2O
SMILES
C1CN(CCN1CCO)CC23CC4CC(C2)CC(C4)C3
InChI
InChI=1S/C17H30N2O/c20-6-5-18-1-3-19(4-2-18)13-17-10-14-7-15(11-17)9-16(8-14)12-17/h14-16,20H,1-13H2
InChIKey
IQKMPYFIWMCREG-UHFFFAOYSA-N
Compound name
2-[4-(1-adamantylmethyl)piperazin-1-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.2358 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.243076 167.6
[M+Na]+ 301.225018 166.4
[M-H]- 277.228524 160.3
[M+NH4]+ 296.269623 186.6
[M+K]+ 317.198958 161.9
[M+H-H2O]+ 261.233060 157.5
[M+HCOO]- 323.234001 166.6
[M+CH3COO]- 337.249651 172.3
[M+Na-2H]- 299.210466 174.3
[M]+ 278.23525142 162.7
[M]- 278.23634858 162.7
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

No patent data available for this compound.