CID 113781

Of-663

Structural Information

Molecular Formula
C16H33N3O
SMILES
CCN(CC)CCNCC1C(C2CCN1CC2)CCO
InChI
InChI=1S/C16H33N3O/c1-3-18(4-2)11-8-17-13-16-15(7-12-20)14-5-9-19(16)10-6-14/h14-17,20H,3-13H2,1-2H3
InChIKey
RIIKPLGIMDVDSV-UHFFFAOYSA-N
Compound name
2-[2-[[2-(diethylamino)ethylamino]methyl]-1-azabicyclo[2.2.2]octan-3-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.26236 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.26964 171.9
[M+Na]+ 306.25158 171.7
[M-H]- 282.25508 165.6
[M+NH4]+ 301.29618 190.3
[M+K]+ 322.22552 169.6
[M+H-H2O]+ 266.25962 165.4
[M+HCOO]- 328.26056 181.3
[M+CH3COO]- 342.27621 214.6
[M+Na-2H]- 304.23703 178.7
[M]+ 283.26181 173.6
[M]- 283.26291 173.6
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

No patent data available for this compound.