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]+ 336.289716 184.0
[M+Na]+ 358.271658 181.3
[M-H]- 334.275164 179.7
[M+NH4]+ 353.316263 201.2
[M+K]+ 374.245598 177.3
[M+H-H2O]+ 318.279700 177.2
[M+HCOO]- 380.280641 183.3
[M+CH3COO]- 394.296291 187.8
[M+Na-2H]- 356.257106 188.4
[M]+ 335.28189142 178.1
[M]- 335.28298858 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.