CID 214370

33073-60-8

Structural Information

Molecular Formula
C12H20ClN3O4
SMILES
CCOC(=O)C1CCC(CC1)NC(=O)N(CCCl)N=O
InChI
InChI=1S/C12H20ClN3O4/c1-2-20-11(17)9-3-5-10(6-4-9)14-12(18)16(15-19)8-7-13/h9-10H,2-8H2,1H3,(H,14,18)
InChIKey
KTPPFFGIIASXSR-UHFFFAOYSA-N
Compound name
ethyl 4-[[2-chloroethyl(nitroso)carbamoyl]amino]cyclohexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

305.11423 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.12151 168.7
[M+Na]+ 328.10345 171.7
[M-H]- 304.10695 173.7
[M+NH4]+ 323.14805 184.5
[M+K]+ 344.07739 171.4
[M+H-H2O]+ 288.11149 161.9
[M+HCOO]- 350.11243 188.1
[M+CH3COO]- 364.12808 212.8
[M+Na-2H]- 326.08890 169.7
[M]+ 305.11368 171.0
[M]- 305.11478 171.0
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.