CID 3016115

2-sec-butyl-2,5-dihydrothiazole

Structural Information

Molecular Formula
C7H13NS
SMILES
CCC(C)C1N=CCS1
InChI
InChI=1S/C7H13NS/c1-3-6(2)7-8-4-5-9-7/h4,6-7H,3,5H2,1-2H3
InChIKey
BLBWFTQVWINNKA-UHFFFAOYSA-N
Compound name
2-butan-2-yl-2,5-dihydro-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

143.07687 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.084146 130.4
[M+Na]+ 166.066088 137.9
[M-H]- 142.069594 132.8
[M+NH4]+ 161.110693 153.1
[M+K]+ 182.040028 136.8
[M+H-H2O]+ 126.074130 124.7
[M+HCOO]- 188.075071 147.4
[M+CH3COO]- 202.090721 173.3
[M+Na-2H]- 164.051536 131.5
[M]+ 143.07632142 131.2
[M]- 143.07741858 131.2
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