CID 3065522

108284-83-9

Structural Information

Molecular Formula
C7H13NS
SMILES
CCC1C=NC(S1)CC
InChI
InChI=1S/C7H13NS/c1-3-6-5-8-7(4-2)9-6/h5-7H,3-4H2,1-2H3
InChIKey
RSABWSHGINRJDU-UHFFFAOYSA-N
Compound name
2,5-diethyl-2,5-dihydro-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

143.07687 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.084146 129.2
[M+Na]+ 166.066088 137.9
[M-H]- 142.069594 131.9
[M+NH4]+ 161.110693 152.3
[M+K]+ 182.040028 136.4
[M+H-H2O]+ 126.074130 123.7
[M+HCOO]- 188.075071 147.2
[M+CH3COO]- 202.090721 173.6
[M+Na-2H]- 164.051536 130.8
[M]+ 143.07632142 131.0
[M]- 143.07741858 131.0
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.