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]+ 144.084146 128.4
[M+Na]+ 166.066088 137.0
[M-H]- 142.069594 131.0
[M+NH4]+ 161.110693 153.1
[M+K]+ 182.040028 135.7
[M+H-H2O]+ 126.074130 123.4
[M+HCOO]- 188.075071 146.4
[M+CH3COO]- 202.090721 172.1
[M+Na-2H]- 164.051536 132.0
[M]+ 143.07632142 130.1
[M]- 143.07741858 130.1
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