CID 97355

Urea, 3-(4-acetoxycyclohexyl)-1-(2-chloroethyl)-1-nitroso-

Structural Information

Molecular Formula
C11H18ClN3O4
SMILES
CC(=O)OC1CCC(CC1)NC(=O)N(CCCl)N=O
InChI
InChI=1S/C11H18ClN3O4/c1-8(16)19-10-4-2-9(3-5-10)13-11(17)15(14-18)7-6-12/h9-10H,2-7H2,1H3,(H,13,17)
InChIKey
JJAWJZKHNWZGJD-UHFFFAOYSA-N
Compound name
[4-[[2-chloroethyl(nitroso)carbamoyl]amino]cyclohexyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

291.09857 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.10585 164.2
[M+Na]+ 314.08779 167.6
[M-H]- 290.09129 169.4
[M+NH4]+ 309.13239 180.5
[M+K]+ 330.06173 167.5
[M+H-H2O]+ 274.09583 157.5
[M+HCOO]- 336.09677 183.8
[M+CH3COO]- 350.11242 209.8
[M+Na-2H]- 312.07324 165.7
[M]+ 291.09802 166.1
[M]- 291.09912 166.1
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

No patent data available for this compound.