CID 96587

Urea, 1-(2-chloroethyl)-3-cycloheptyl-

Structural Information

Molecular Formula
C10H19ClN2O
SMILES
C1CCCC(CC1)NC(=O)NCCCl
InChI
InChI=1S/C10H19ClN2O/c11-7-8-12-10(14)13-9-5-3-1-2-4-6-9/h9H,1-8H2,(H2,12,13,14)
InChIKey
BKCHWJUBSGHNQU-UHFFFAOYSA-N
Compound name
1-(2-chloroethyl)-3-cycloheptylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.11859 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.12587 147.6
[M+Na]+ 241.10781 149.6
[M-H]- 217.11131 150.6
[M+NH4]+ 236.15241 164.7
[M+K]+ 257.08175 151.3
[M+H-H2O]+ 201.11585 141.4
[M+HCOO]- 263.11679 163.9
[M+CH3COO]- 277.13244 191.0
[M+Na-2H]- 239.09326 150.8
[M]+ 218.11804 140.9
[M]- 218.11914 140.9
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.