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 180.0
[M+Na]+ 318.24035 178.5
[M-H]- 294.24385 172.5
[M+NH4]+ 313.28495 201.2
[M+K]+ 334.21429 175.6
[M+H-H2O]+ 278.24839 174.4
[M+HCOO]- 340.24933 182.3
[M+CH3COO]- 354.26498 212.1
[M+Na-2H]- 316.22580 188.2
[M]+ 295.25058 180.6
[M]- 295.25168 180.6
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.