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]+ 226.191386 158.2
[M+Na]+ 248.173328 163.7
[M-H]- 224.176834 158.2
[M+NH4]+ 243.217933 176.9
[M+K]+ 264.147268 162.3
[M+H-H2O]+ 208.181370 157.0
[M+HCOO]- 270.182311 169.6
[M+CH3COO]- 284.197961 166.7
[M+Na-2H]- 246.158776 167.0
[M]+ 225.18356142 155.8
[M]- 225.18465858 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.