CID 64290

Urea, 3-(2-adamantyl)-1-(2-chloroethyl)-1-nitroso-

Structural Information

Molecular Formula
C13H20ClN3O2
SMILES
C1C2CC3CC1CC(C2)C3NC(=O)N(CCCl)N=O
InChI
InChI=1S/C13H20ClN3O2/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
DZYZMLMCSKKNSA-UHFFFAOYSA-N
Compound name
3-(2-adamantyl)-1-(2-chloroethyl)-1-nitrosourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

285.1244 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.13168 156.4
[M+Na]+ 308.11362 163.4
[M+NH4]+ 303.15822 166.6
[M+K]+ 324.08756 156.8
[M-H]- 284.11712 155.4
[M+Na-2H]- 306.09907 152.4
[M]+ 285.12385 157.0
[M]- 285.12495 157.0
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.