CID 796429

1-adamantylthiourea

Structural Information

Molecular Formula
C11H18N2S
SMILES
C1C2CC3CC1CC(C2)(C3)NC(=S)N
InChI
InChI=1S/C11H18N2S/c12-10(14)13-11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9H,1-6H2,(H3,12,13,14)
InChIKey
LRWQENBAFMBIJR-UHFFFAOYSA-N
Compound name
1-adamantylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

163
Patents

210.11906 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.12634 142.3
[M+Na]+ 233.10828 149.1
[M+NH4]+ 228.15288 155.4
[M+K]+ 249.08222 138.7
[M-H]- 209.11178 141.2
[M+Na-2H]- 231.09373 140.2
[M]+ 210.11851 143.4
[M]- 210.11961 143.4
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

patents stripe