CID 64494

73972-47-1

Structural Information

Molecular Formula
C21H37NO2
SMILES
C1CCCN(CC1)CC(CCOCC23CC4CC(C2)CC(C4)C3)O
InChI
InChI=1S/C21H37NO2/c23-20(15-22-6-3-1-2-4-7-22)5-8-24-16-21-12-17-9-18(13-21)11-19(10-17)14-21/h17-20,23H,1-16H2
InChIKey
ODFUUKDOWIAKCG-UHFFFAOYSA-N
Compound name
4-(1-adamantylmethoxy)-1-(azepan-1-yl)butan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.28244 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.28972 184.0
[M+Na]+ 358.27166 181.3
[M-H]- 334.27516 179.7
[M+NH4]+ 353.31626 201.2
[M+K]+ 374.24560 177.3
[M+H-H2O]+ 318.27970 177.2
[M+HCOO]- 380.28064 183.3
[M+CH3COO]- 394.29629 187.8
[M+Na-2H]- 356.25711 188.4
[M]+ 335.28189 178.1
[M]- 335.28299 178.1
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.