CID 4322802

2-(4-cyclohexyl-1,3-thiazol-2-yl)ethan-1-amine dihydrochloride

Structural Information

Molecular Formula
C11H18N2S
SMILES
C1CCC(CC1)C2=CSC(=N2)CCN
InChI
InChI=1S/C11H18N2S/c12-7-6-11-13-10(8-14-11)9-4-2-1-3-5-9/h8-9H,1-7,12H2
InChIKey
VLTVNZHBVJHVKS-UHFFFAOYSA-N
Compound name
2-(4-cyclohexyl-1,3-thiazol-2-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.11906 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.126336 146.9
[M+Na]+ 233.108278 152.4
[M-H]- 209.111784 151.1
[M+NH4]+ 228.152883 166.1
[M+K]+ 249.082218 148.8
[M+H-H2O]+ 193.116320 139.7
[M+HCOO]- 255.117261 162.8
[M+CH3COO]- 269.132911 158.4
[M+Na-2H]- 231.093726 146.7
[M]+ 210.11851142 143.1
[M]- 210.11960858 143.1
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.