CID 64274

27866-24-6

Structural Information

Molecular Formula
C20H35NO2
SMILES
C1CCC(CC1)NCC(COCC23CC4CC(C2)CC(C4)C3)O
InChI
InChI=1S/C20H35NO2/c22-19(12-21-18-4-2-1-3-5-18)13-23-14-20-9-15-6-16(10-20)8-17(7-15)11-20/h15-19,21-22H,1-14H2
InChIKey
JVIGMYCEKLTUFH-UHFFFAOYSA-N
Compound name
1-(1-adamantylmethoxy)-3-(cyclohexylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

321.26678 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.27406 175.2
[M+Na]+ 344.25600 170.6
[M-H]- 320.25950 169.4
[M+NH4]+ 339.30060 194.2
[M+K]+ 360.22994 166.6
[M+H-H2O]+ 304.26404 166.8
[M+HCOO]- 366.26498 175.7
[M+CH3COO]- 380.28063 179.0
[M+Na-2H]- 342.24145 181.1
[M]+ 321.26623 170.1
[M]- 321.26733 170.1
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.