CID 64292

3-(2-adamantyl)-1-(2-fluoroethyl)-1-nitrosourea

Structural Information

Molecular Formula
C13H20FN3O2
SMILES
C1C2CC3CC1CC(C2)C3NC(=O)N(CCF)N=O
InChI
InChI=1S/C13H20FN3O2/c14-1-2-17(16-19)13(18)15-12-10-4-8-3-9(6-10)7-11(12)5-8/h8-12H,1-7H2,(H,15,18)
InChIKey
VKOCBLCNMKHPCC-UHFFFAOYSA-N
Compound name
3-(2-adamantyl)-1-(2-fluoroethyl)-1-nitrosourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

269.15396 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.16124 155.6
[M+Na]+ 292.14318 155.3
[M-H]- 268.14668 151.4
[M+NH4]+ 287.18778 177.0
[M+K]+ 308.11712 155.0
[M+H-H2O]+ 252.15122 148.3
[M+HCOO]- 314.15216 166.1
[M+CH3COO]- 328.16781 217.1
[M+Na-2H]- 290.12863 165.2
[M]+ 269.15341 155.9
[M]- 269.15451 155.9
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.