CID 208788

1-(2-chloroethyl)-3-(4-ethylcyclohexyl)-1-nitrosourea

Structural Information

Molecular Formula
C11H20ClN3O2
SMILES
CCC1CCC(CC1)NC(=O)N(CCCl)N=O
InChI
InChI=1S/C11H20ClN3O2/c1-2-9-3-5-10(6-4-9)13-11(16)15(14-17)8-7-12/h9-10H,2-8H2,1H3,(H,13,16)
InChIKey
LQLUPFNKVIUCFJ-UHFFFAOYSA-N
Compound name
1-(2-chloroethyl)-3-(4-ethylcyclohexyl)-1-nitrosourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

261.1244 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.13168 161.0
[M+Na]+ 284.11362 164.5
[M-H]- 260.11712 166.0
[M+NH4]+ 279.15822 178.7
[M+K]+ 300.08756 163.2
[M+H-H2O]+ 244.12166 154.3
[M+HCOO]- 306.12260 180.9
[M+CH3COO]- 320.13825 206.1
[M+Na-2H]- 282.09907 163.2
[M]+ 261.12385 161.3
[M]- 261.12495 161.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe