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 166.3
[M+Na]+ 277.18865 170.9
[M-H]- 253.19215 164.0
[M+NH4]+ 272.23325 183.6
[M+K]+ 293.16259 168.3
[M+H-H2O]+ 237.19669 160.2
[M+HCOO]- 299.19763 177.5
[M+CH3COO]- 313.21328 195.3
[M+Na-2H]- 275.17410 167.2
[M]+ 254.19888 164.6
[M]- 254.19998 164.6
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.