CID 64265

27866-16-6

Structural Information

Molecular Formula
C18H33NO2
SMILES
CC(C)(C)NCC(COCC12CC3CC(C1)CC(C3)C2)O
InChI
InChI=1S/C18H33NO2/c1-17(2,3)19-10-16(20)11-21-12-18-7-13-4-14(8-18)6-15(5-13)9-18/h13-16,19-20H,4-12H2,1-3H3
InChIKey
SCKCXSZBBBPOIJ-UHFFFAOYSA-N
Compound name
1-(1-adamantylmethoxy)-3-(tert-butylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

295.25113 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.25841 172.4
[M+Na]+ 318.24035 178.0
[M+NH4]+ 313.28495 183.4
[M+K]+ 334.21429 169.7
[M-H]- 294.24385 169.2
[M+Na-2H]- 316.22580 167.7
[M]+ 295.25058 172.2
[M]- 295.25168 172.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.