CID 64493

1-piperazinepropanol, 4-(1-adamantyl)-

Structural Information

Molecular Formula
C17H30N2O
SMILES
C1CN(CCN1CCCO)C23CC4CC(C2)CC(C4)C3
InChI
InChI=1S/C17H30N2O/c20-7-1-2-18-3-5-19(6-4-18)17-11-14-8-15(12-17)10-16(9-14)13-17/h14-16,20H,1-13H2
InChIKey
OMDIKYQQOCAQRF-UHFFFAOYSA-N
Compound name
3-[4-(1-adamantyl)piperazin-1-yl]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.2358 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.24308 167.6
[M+Na]+ 301.22502 166.4
[M-H]- 277.22852 160.3
[M+NH4]+ 296.26962 186.6
[M+K]+ 317.19896 161.9
[M+H-H2O]+ 261.23306 157.5
[M+HCOO]- 323.23400 166.6
[M+CH3COO]- 337.24965 172.3
[M+Na-2H]- 299.21047 174.3
[M]+ 278.23525 162.7
[M]- 278.23635 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.