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

2
Patents

195.13716 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.14444 146.5
[M+Na]+ 218.12638 151.4
[M-H]- 194.12988 149.3
[M+NH4]+ 213.17098 163.1
[M+K]+ 234.10032 150.0
[M+H-H2O]+ 178.13442 133.3
[M+HCOO]- 240.13536 164.2
[M+CH3COO]- 254.15101 202.0
[M+Na-2H]- 216.11183 148.5
[M]+ 195.13661 136.6
[M]- 195.13771 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