CID 64272

27866-22-4

Structural Information

Molecular Formula
C19H33NO2
SMILES
C1CCC(C1)NCC(COCC23CC4CC(C2)CC(C4)C3)O
InChI
InChI=1S/C19H33NO2/c21-18(11-20-17-3-1-2-4-17)12-22-13-19-8-14-5-15(9-19)7-16(6-14)10-19/h14-18,20-21H,1-13H2
InChIKey
XRIXXQPMSKSNJD-UHFFFAOYSA-N
Compound name
1-(1-adamantylmethoxy)-3-(cyclopentylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

307.25113 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.25841 171.7
[M+Na]+ 330.24035 168.7
[M-H]- 306.24385 166.7
[M+NH4]+ 325.28495 193.4
[M+K]+ 346.21429 164.4
[M+H-H2O]+ 290.24839 164.8
[M+HCOO]- 352.24933 174.9
[M+CH3COO]- 366.26498 176.9
[M+Na-2H]- 328.22580 176.4
[M]+ 307.25058 168.6
[M]- 307.25168 168.6
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

patents stripe