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 180.6
[M+Na]+ 333.21487 184.2
[M-H]- 309.21837 179.3
[M+NH4]+ 328.25947 196.1
[M+K]+ 349.18881 182.3
[M+H-H2O]+ 293.22291 173.9
[M+HCOO]- 355.22385 191.7
[M+CH3COO]- 369.23950 208.2
[M+Na-2H]- 331.20032 179.5
[M]+ 310.22510 181.9
[M]- 310.22620 181.9
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.