CID 249107

1-(2-cyanoethyl)-1-cyclohexylurea

Structural Information

Molecular Formula
C10H17N3O
SMILES
C1CCC(CC1)N(CCC#N)C(=O)N
InChI
InChI=1S/C10H17N3O/c11-7-4-8-13(10(12)14)9-5-2-1-3-6-9/h9H,1-6,8H2,(H2,12,14)
InChIKey
IVACNLAJPODRBE-UHFFFAOYSA-N
Compound name
1-(2-cyanoethyl)-1-cyclohexylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

195.13716 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.144436 146.5
[M+Na]+ 218.126378 151.4
[M-H]- 194.129884 149.3
[M+NH4]+ 213.170983 163.1
[M+K]+ 234.100318 150.0
[M+H-H2O]+ 178.134420 133.3
[M+HCOO]- 240.135361 164.2
[M+CH3COO]- 254.151011 202.0
[M+Na-2H]- 216.111826 148.5
[M]+ 195.13661142 136.6
[M]- 195.13770858 136.6
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

patents stripe