CID 3035253

Isonoruron

Structural Information

Molecular Formula
C13H22N2O
SMILES
CN(C)C(=O)NC1CCC2C1C3CCC2C3
InChI
InChI=1S/C13H22N2O/c1-15(2)13(16)14-11-6-5-10-8-3-4-9(7-8)12(10)11/h8-12H,3-7H2,1-2H3,(H,14,16)
InChIKey
QOBMKVRRANLSMZ-UHFFFAOYSA-N
Compound name
1,1-dimethyl-3-(3-tricyclo[5.2.1.02,6]decanyl)urea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3111
Patents

222.17322 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.18050 152.8
[M+Na]+ 245.16244 157.5
[M+NH4]+ 240.20704 162.1
[M+K]+ 261.13638 158.2
[M-H]- 221.16594 153.9
[M+Na-2H]- 243.14789 151.7
[M]+ 222.17267 153.2
[M]- 222.17377 153.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe