CID 4589780

[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl](methyl)amine dihydrochloride

Structural Information

Molecular Formula
C10H18N2S
SMILES
CC(C1=NC(=CS1)C(C)(C)C)NC
InChI
InChI=1S/C10H18N2S/c1-7(11-5)9-12-8(6-13-9)10(2,3)4/h6-7,11H,1-5H3
InChIKey
PIAFADYVAOZLHS-UHFFFAOYSA-N
Compound name
1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.11906 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.12634 146.5
[M+Na]+ 221.10828 154.1
[M-H]- 197.11178 149.3
[M+NH4]+ 216.15288 167.2
[M+K]+ 237.08222 152.1
[M+H-H2O]+ 181.11632 140.6
[M+HCOO]- 243.11726 163.3
[M+CH3COO]- 257.13291 187.3
[M+Na-2H]- 219.09373 147.7
[M]+ 198.11851 148.7
[M]- 198.11961 148.7
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.