CID 3051619

Brn 0548993

Structural Information

Molecular Formula
C17H30N2O3
SMILES
CCC(=O)N1C2CCC1CN(C2)CCC(C)(C)OC(=O)CC
InChI
InChI=1S/C17H30N2O3/c1-5-15(20)19-13-7-8-14(19)12-18(11-13)10-9-17(3,4)22-16(21)6-2/h13-14H,5-12H2,1-4H3
InChIKey
GPVHHBJNESWWFS-UHFFFAOYSA-N
Compound name
[2-methyl-4-(8-propanoyl-3,8-diazabicyclo[3.2.1]octan-3-yl)butan-2-yl] propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.22565 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.23293 176.9
[M+Na]+ 333.21487 183.2
[M+NH4]+ 328.25947 182.2
[M+K]+ 349.18881 181.0
[M-H]- 309.21837 173.9
[M+Na-2H]- 331.20032 174.9
[M]+ 310.22510 176.5
[M]- 310.22620 176.5
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.