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 175.9
[M+Na]+ 318.24035 173.9
[M-H]- 294.24385 168.2
[M+NH4]+ 313.28495 196.9
[M+K]+ 334.21429 170.4
[M+H-H2O]+ 278.24839 169.3
[M+HCOO]- 340.24933 179.8
[M+CH3COO]- 354.26498 212.3
[M+Na-2H]- 316.22580 183.2
[M]+ 295.25058 176.9
[M]- 295.25168 176.9
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

patents stripe