CID 64263

27866-14-4

Structural Information

Molecular Formula
C18H33NO2
SMILES
CCC(C)NCC(COCC12CC3CC(C1)CC(C3)C2)O
InChI
InChI=1S/C18H33NO2/c1-3-13(2)19-10-17(20)11-21-12-18-7-14-4-15(8-18)6-16(5-14)9-18/h13-17,19-20H,3-12H2,1-2H3
InChIKey
DOOALPDOSJGYOU-UHFFFAOYSA-N
Compound name
1-(1-adamantylmethoxy)-3-(butan-2-ylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

295.25113 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.25841 177.4
[M+Na]+ 318.24035 175.1
[M-H]- 294.24385 169.6
[M+NH4]+ 313.28495 198.3
[M+K]+ 334.21429 172.1
[M+H-H2O]+ 278.24839 171.1
[M+HCOO]- 340.24933 180.2
[M+CH3COO]- 354.26498 213.1
[M+Na-2H]- 316.22580 183.5
[M]+ 295.25058 177.7
[M]- 295.25168 177.7
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.