CID 3050620

3-thiazoline, 2,2-diethyl-

Structural Information

Molecular Formula
C7H13NS
SMILES
CCC1(N=CCS1)CC
InChI
InChI=1S/C7H13NS/c1-3-7(4-2)8-5-6-9-7/h5H,3-4,6H2,1-2H3
InChIKey
MCWHHFLWVAMMAE-UHFFFAOYSA-N
Compound name
2,2-diethyl-5H-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

143.07687 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.08415 130.8
[M+Na]+ 166.06609 141.6
[M+NH4]+ 161.11069 141.9
[M+K]+ 182.04003 132.9
[M-H]- 142.06959 132.5
[M+Na-2H]- 164.05154 137.3
[M]+ 143.07632 133.4
[M]- 143.07742 133.4
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

patents stripe