CID 39550

49832-48-6

Structural Information

Molecular Formula
C18H28N2O2
SMILES
CCN(CC)CC#CCN1C(=O)C2CCC(C1=O)(C2(C)C)C
InChI
InChI=1S/C18H28N2O2/c1-6-19(7-2)12-8-9-13-20-15(21)14-10-11-18(5,16(20)22)17(14,3)4/h14H,6-7,10-13H2,1-5H3
InChIKey
VLUULYNEBTVMAG-UHFFFAOYSA-N
Compound name
3-[4-(diethylamino)but-2-ynyl]-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.2151 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.22238 169.8
[M+Na]+ 327.20432 180.0
[M-H]- 303.20782 171.1
[M+NH4]+ 322.24892 189.7
[M+K]+ 343.17826 173.0
[M+H-H2O]+ 287.21236 159.0
[M+HCOO]- 349.21330 182.0
[M+CH3COO]- 363.22895 217.4
[M+Na-2H]- 325.18977 170.6
[M]+ 304.21455 167.0
[M]- 304.21565 167.0
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.