CID 3063626

101253-37-6

Structural Information

Molecular Formula
C8H15NS
SMILES
CCC1(N=CC(S1)C)CC
InChI
InChI=1S/C8H15NS/c1-4-8(5-2)9-6-7(3)10-8/h6-7H,4-5H2,1-3H3
InChIKey
FDXSPXKBBUGGJB-UHFFFAOYSA-N
Compound name
2,2-diethyl-5-methyl-5H-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

157.09251 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.099786 131.7
[M+Na]+ 180.081728 140.8
[M-H]- 156.085234 134.5
[M+NH4]+ 175.126333 156.3
[M+K]+ 196.055668 139.2
[M+H-H2O]+ 140.089770 127.0
[M+HCOO]- 202.090711 149.5
[M+CH3COO]- 216.106361 176.1
[M+Na-2H]- 178.067176 134.3
[M]+ 157.09196142 134.2
[M]- 157.09305858 134.2
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

No patent data available for this compound.