CID 64261

2-propanol, 1-(1-adamantylmethoxy)-3-butylamino-, hydrochloride

Structural Information

Molecular Formula
C18H33NO2
SMILES
CCCCNCC(COCC12CC3CC(C1)CC(C3)C2)O
InChI
InChI=1S/C18H33NO2/c1-2-3-4-19-11-17(20)12-21-13-18-8-14-5-15(9-18)7-16(6-14)10-18/h14-17,19-20H,2-13H2,1H3
InChIKey
ITNFFSDTBBXUAE-UHFFFAOYSA-N
Compound name
1-(1-adamantylmethoxy)-3-(butylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.25113 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.25841 173.1
[M+Na]+ 318.24035 179.0
[M+NH4]+ 313.28495 184.3
[M+K]+ 334.21429 169.5
[M-H]- 294.24385 170.5
[M+Na-2H]- 316.22580 168.1
[M]+ 295.25058 173.0
[M]- 295.25168 173.0
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.