CID 3051620

Brn 0525461

Structural Information

Molecular Formula
C14H26N2O2
SMILES
CCC(=O)N1C2CCC1CN(C2)CCC(C)(C)O
InChI
InChI=1S/C14H26N2O2/c1-4-13(17)16-11-5-6-12(16)10-15(9-11)8-7-14(2,3)18/h11-12,18H,4-10H2,1-3H3
InChIKey
YYJYXCYBSWETTR-UHFFFAOYSA-N
Compound name
1-[3-(3-hydroxy-3-methylbutyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.19943 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.20671 162.8
[M+Na]+ 277.18865 170.0
[M+NH4]+ 272.23325 169.2
[M+K]+ 293.16259 167.4
[M-H]- 253.19215 160.3
[M+Na-2H]- 275.17410 161.7
[M]+ 254.19888 162.7
[M]- 254.19998 162.7
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.