CID 360491

Nsc622625

Structural Information

Molecular Formula
C13H23N3O
SMILES
CN(C)NC(=O)NC12CC3CC(C1)CC(C3)C2
InChI
InChI=1S/C13H23N3O/c1-16(2)15-12(17)14-13-6-9-3-10(7-13)5-11(4-9)8-13/h9-11H,3-8H2,1-2H3,(H2,14,15,17)
InChIKey
KWUVLQSOBDEUAK-UHFFFAOYSA-N
Compound name
1-(1-adamantyl)-3-(dimethylamino)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.18411 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.19139 152.3
[M+Na]+ 260.17333 152.0
[M-H]- 236.17683 148.1
[M+NH4]+ 255.21793 176.3
[M+K]+ 276.14727 151.0
[M+H-H2O]+ 220.18137 146.1
[M+HCOO]- 282.18231 162.0
[M+CH3COO]- 296.19796 160.2
[M+Na-2H]- 258.15878 163.2
[M]+ 237.18356 151.2
[M]- 237.18466 151.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.