CID 99455

61137-62-0

Structural Information

Molecular Formula
C10H16FN3O4
SMILES
C1CC(CCC1C(=O)O)NC(=O)N(CCF)N=O
InChI
InChI=1S/C10H16FN3O4/c11-5-6-14(13-18)10(17)12-8-3-1-7(2-4-8)9(15)16/h7-8H,1-6H2,(H,12,17)(H,15,16)
InChIKey
YTWIKXYJTKQLDW-UHFFFAOYSA-N
Compound name
4-[[2-fluoroethyl(nitroso)carbamoyl]amino]cyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

261.1125 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.11978 155.2
[M+Na]+ 284.10172 157.7
[M-H]- 260.10522 157.7
[M+NH4]+ 279.14632 170.9
[M+K]+ 300.07566 158.6
[M+H-H2O]+ 244.10976 146.8
[M+HCOO]- 306.11070 177.0
[M+CH3COO]- 320.12635 204.1
[M+Na-2H]- 282.08717 156.6
[M]+ 261.11195 151.5
[M]- 261.11305 151.5
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.