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]+ 279.24308 168.6
[M+Na]+ 301.22502 167.1
[M-H]- 277.22852 161.3
[M+NH4]+ 296.26962 187.5
[M+K]+ 317.19896 163.0
[M+H-H2O]+ 261.23306 158.9
[M+HCOO]- 323.23400 166.6
[M+CH3COO]- 337.24965 173.2
[M+Na-2H]- 299.21047 174.2
[M]+ 278.23525 163.1
[M]- 278.23635 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.