CID 3051622

3-(3-metil-3-carbamilossi)butil-8-propionil-3,8-diazabiciclo(3.2.1)ottano [italian]

Structural Information

Molecular Formula
C15H27N3O3
SMILES
CCC(=O)N1C2CCC1CN(C2)CCC(C)(C)OC(=O)N
InChI
InChI=1S/C15H27N3O3/c1-4-13(19)18-11-5-6-12(18)10-17(9-11)8-7-15(2,3)21-14(16)20/h11-12H,4-10H2,1-3H3,(H2,16,20)
InChIKey
DWKMGGOKNSEJHB-UHFFFAOYSA-N
Compound name
[2-methyl-4-(8-propanoyl-3,8-diazabicyclo[3.2.1]octan-3-yl)butan-2-yl] carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.20523 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.21251 174.9
[M+Na]+ 320.19445 178.5
[M-H]- 296.19795 173.4
[M+NH4]+ 315.23905 190.4
[M+K]+ 336.16839 176.9
[M+H-H2O]+ 280.20249 168.3
[M+HCOO]- 342.20343 187.2
[M+CH3COO]- 356.21908 206.7
[M+Na-2H]- 318.17990 174.6
[M]+ 297.20468 173.8
[M]- 297.20578 173.8
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.