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]+ 303.206706 170.6
[M+Na]+ 325.188648 181.1
[M-H]- 301.192154 171.7
[M+NH4]+ 320.233253 190.0
[M+K]+ 341.162588 171.5
[M+H-H2O]+ 285.196690 158.2
[M+HCOO]- 347.197631 179.7
[M+CH3COO]- 361.213281 209.4
[M+Na-2H]- 323.174096 168.8
[M]+ 302.19888142 163.6
[M]- 302.19997858 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.