CID 3067218

3-thiazoline, 2,2-dimethyl-4-ethyl-

Structural Information

Molecular Formula
C7H13NS
SMILES
CCC1=NC(SC1)(C)C
InChI
InChI=1S/C7H13NS/c1-4-6-5-9-7(2,3)8-6/h4-5H2,1-3H3
InChIKey
HTLXHILOXORXGU-UHFFFAOYSA-N
Compound name
4-ethyl-2,2-dimethyl-5H-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

143.07687 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.08415 130.6
[M+Na]+ 166.06609 141.7
[M+NH4]+ 161.11069 141.7
[M+K]+ 182.04003 133.2
[M-H]- 142.06959 132.4
[M+Na-2H]- 164.05154 136.9
[M]+ 143.07632 133.3
[M]- 143.07742 133.3
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.