CID 98886

Brn 2996664

Structural Information

Molecular Formula
C11H18ClN3O4
SMILES
C1CC(CCC1COC=O)NC(=O)N(CCCl)N=O
InChI
InChI=1S/C11H18ClN3O4/c12-5-6-15(14-18)11(17)13-10-3-1-9(2-4-10)7-19-8-16/h8-10H,1-7H2,(H,13,17)
InChIKey
SRQNUXJSEHVLFS-UHFFFAOYSA-N
Compound name
[4-[[2-chloroethyl(nitroso)carbamoyl]amino]cyclohexyl]methyl formate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

291.09857 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.10585 163.5
[M+Na]+ 314.08779 167.1
[M-H]- 290.09129 168.5
[M+NH4]+ 309.13239 179.8
[M+K]+ 330.06173 166.4
[M+H-H2O]+ 274.09583 156.6
[M+HCOO]- 336.09677 184.1
[M+CH3COO]- 350.11242 209.6
[M+Na-2H]- 312.07324 166.2
[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.