CID 91117

Brn 0518997

Structural Information

Molecular Formula
C11H20N2O2
SMILES
CCC(=O)N1C2CCC1CN(C2)CCO
InChI
InChI=1S/C11H20N2O2/c1-2-11(15)13-9-3-4-10(13)8-12(7-9)5-6-14/h9-10,14H,2-8H2,1H3
InChIKey
JFXIIJKNDNHSFL-UHFFFAOYSA-N
Compound name
1-[3-(2-hydroxyethyl)-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

212.15248 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.15976 150.7
[M+Na]+ 235.14170 158.9
[M+NH4]+ 230.18630 157.9
[M+K]+ 251.11564 155.6
[M-H]- 211.14520 149.0
[M+Na-2H]- 233.12715 150.3
[M]+ 212.15193 150.9
[M]- 212.15303 150.9
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.