CID 39551

Brn 1490167

Structural Information

Molecular Formula
C18H26N2O2
SMILES
CC1(C2CCC1(C(=O)N(C2=O)CC#CCN3CCCC3)C)C
InChI
InChI=1S/C18H26N2O2/c1-17(2)14-8-9-18(17,3)16(22)20(15(14)21)13-7-6-12-19-10-4-5-11-19/h14H,4-5,8-13H2,1-3H3
InChIKey
BGHGOJZCHIPOHC-UHFFFAOYSA-N
Compound name
1,8,8-trimethyl-3-(4-pyrrolidin-1-ylbut-2-ynyl)-3-azabicyclo[3.2.1]octane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.19943 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.20671 170.6
[M+Na]+ 325.18865 181.1
[M-H]- 301.19215 171.7
[M+NH4]+ 320.23325 190.0
[M+K]+ 341.16259 171.5
[M+H-H2O]+ 285.19669 158.2
[M+HCOO]- 347.19763 179.7
[M+CH3COO]- 361.21328 209.4
[M+Na-2H]- 323.17410 168.8
[M]+ 302.19888 163.6
[M]- 302.19998 163.6
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.