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]+ 286.131676 160.8
[M+Na]+ 308.113618 161.5
[M-H]- 284.117124 157.9
[M+NH4]+ 303.158223 182.7
[M+K]+ 324.087558 160.1
[M+H-H2O]+ 268.121660 155.8
[M+HCOO]- 330.122601 168.3
[M+CH3COO]- 344.138251 218.0
[M+Na-2H]- 306.099066 170.4
[M]+ 285.12385142 164.5
[M]- 285.12494858 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.