CID 46993

Adamantane, 1-(2-(4-hydroxypiperazinyl)propyl)-, dihydrochloride

Structural Information

Molecular Formula
C17H30N2O
SMILES
CC(CC12CC3CC(C1)CC(C3)C2)N4CCN(CC4)O
InChI
InChI=1S/C17H30N2O/c1-13(18-2-4-19(20)5-3-18)9-17-10-14-6-15(11-17)8-16(7-14)12-17/h13-16,20H,2-12H2,1H3
InChIKey
VNTBYBRDJSWTIF-UHFFFAOYSA-N
Compound name
1-[1-(1-adamantyl)propan-2-yl]-4-hydroxypiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.2358 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.243076 168.6
[M+Na]+ 301.225018 167.1
[M-H]- 277.228524 161.3
[M+NH4]+ 296.269623 187.5
[M+K]+ 317.198958 163.0
[M+H-H2O]+ 261.233060 158.9
[M+HCOO]- 323.234001 166.6
[M+CH3COO]- 337.249651 173.2
[M+Na-2H]- 299.210466 174.2
[M]+ 278.23525142 163.1
[M]- 278.23634858 163.1
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.