CID 97403

33024-40-7

Structural Information

Molecular Formula
C11H18FN3O4
SMILES
CC(=O)OC1CCC(CC1)NC(=O)N(CCF)N=O
InChI
InChI=1S/C11H18FN3O4/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
FWQRRJUOMMCBNX-UHFFFAOYSA-N
Compound name
[4-[[2-fluoroethyl(nitroso)carbamoyl]amino]cyclohexyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

275.12814 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.13542 159.8
[M+Na]+ 298.11736 162.5
[M-H]- 274.12086 163.6
[M+NH4]+ 293.16196 175.8
[M+K]+ 314.09130 164.0
[M+H-H2O]+ 258.12540 151.1
[M+HCOO]- 320.12634 182.8
[M+CH3COO]- 334.14199 208.9
[M+Na-2H]- 296.10281 161.2
[M]+ 275.12759 158.4
[M]- 275.12869 158.4
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.