CID 98636

Nsc 155948

Structural Information

Molecular Formula
C11H18ClN3O4
SMILES
COC(=O)C1CCC(CC1)NC(=O)N(CCCl)N=O
InChI
InChI=1S/C11H18ClN3O4/c1-19-10(16)8-2-4-9(5-3-8)13-11(17)15(14-18)7-6-12/h8-9H,2-7H2,1H3,(H,13,17)
InChIKey
YSVWGWBSXUMUGW-UHFFFAOYSA-N
Compound name
methyl 4-[[2-chloroethyl(nitroso)carbamoyl]amino]cyclohexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

32
Patents

291.09857 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.10585 163.0
[M+Na]+ 314.08779 169.4
[M+NH4]+ 309.13239 168.6
[M+K]+ 330.06173 165.8
[M-H]- 290.09129 164.0
[M+Na-2H]- 312.07324 165.5
[M]+ 291.09802 163.8
[M]- 291.09912 163.8
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.