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]+ 186.160096 142.5
[M+Na]+ 208.142038 144.3
[M-H]- 184.145544 144.2
[M+NH4]+ 203.186643 160.6
[M+K]+ 224.115978 143.1
[M+H-H2O]+ 168.150080 135.5
[M+HCOO]- 230.151021 164.5
[M+CH3COO]- 244.166671 187.4
[M+Na-2H]- 206.127486 146.3
[M]+ 185.15227142 134.7
[M]- 185.15336858 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.