CID 13030916

3-(2-aminoethyl)-1-cyclohexylurea dihydrochloride

Structural Information

Molecular Formula
C9H19N3O
SMILES
C1CCC(CC1)NC(=O)NCCN
InChI
InChI=1S/C9H19N3O/c10-6-7-11-9(13)12-8-4-2-1-3-5-8/h8H,1-7,10H2,(H2,11,12,13)
InChIKey
LTIKDZKOHCAGRM-UHFFFAOYSA-N
Compound name
1-(2-aminoethyl)-3-cyclohexylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.15282 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.16010 142.5
[M+Na]+ 208.14204 144.3
[M-H]- 184.14554 144.2
[M+NH4]+ 203.18664 160.6
[M+K]+ 224.11598 143.1
[M+H-H2O]+ 168.15008 135.5
[M+HCOO]- 230.15102 164.5
[M+CH3COO]- 244.16667 187.4
[M+Na-2H]- 206.12749 146.3
[M]+ 185.15227 134.7
[M]- 185.15337 134.7
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.