CID 3065522

2,5-diethyl-3-thiazoline

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]+ 144.08415 130.8
[M+Na]+ 166.06609 141.8
[M+NH4]+ 161.11069 140.5
[M+K]+ 182.04003 134.9
[M-H]- 142.06959 132.6
[M+Na-2H]- 164.05154 135.5
[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.