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 160.8
[M+Na]+ 308.11362 161.5
[M-H]- 284.11712 157.9
[M+NH4]+ 303.15822 182.7
[M+K]+ 324.08756 160.1
[M+H-H2O]+ 268.12166 155.8
[M+HCOO]- 330.12260 168.3
[M+CH3COO]- 344.13825 218.0
[M+Na-2H]- 306.09907 170.4
[M]+ 285.12385 164.5
[M]- 285.12495 164.5
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.