CID 377683

Urea, 1-(2-(3-azabicyclo(3.2.2)nonan-3-yl)ethyl)-3-methyl-

Structural Information

Molecular Formula
C12H23N3O
SMILES
CNC(=O)NCCN1CC2CCC(C1)CC2
InChI
InChI=1S/C12H23N3O/c1-13-12(16)14-6-7-15-8-10-2-3-11(9-15)5-4-10/h10-11H,2-9H2,1H3,(H2,13,14,16)
InChIKey
JHWADYZNWUCJJU-UHFFFAOYSA-N
Compound name
1-[2-(3-azabicyclo[3.2.2]nonan-3-yl)ethyl]-3-methylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.18411 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.19139 158.2
[M+Na]+ 248.17333 163.7
[M-H]- 224.17683 158.2
[M+NH4]+ 243.21793 176.9
[M+K]+ 264.14727 162.3
[M+H-H2O]+ 208.18137 157.0
[M+HCOO]- 270.18231 169.6
[M+CH3COO]- 284.19796 166.7
[M+Na-2H]- 246.15878 167.0
[M]+ 225.18356 155.8
[M]- 225.18466 155.8
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.