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]+ 144.08415 129.2
[M+Na]+ 166.06609 137.9
[M-H]- 142.06959 131.9
[M+NH4]+ 161.11069 152.3
[M+K]+ 182.04003 136.4
[M+H-H2O]+ 126.07413 123.7
[M+HCOO]- 188.07507 147.2
[M+CH3COO]- 202.09072 173.6
[M+Na-2H]- 164.05154 130.8
[M]+ 143.07632 131.0
[M]- 143.07742 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.