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]+ 158.09979 131.7
[M+Na]+ 180.08173 140.8
[M-H]- 156.08523 134.5
[M+NH4]+ 175.12633 156.3
[M+K]+ 196.05567 139.2
[M+H-H2O]+ 140.08977 127.0
[M+HCOO]- 202.09071 149.5
[M+CH3COO]- 216.10636 176.1
[M+Na-2H]- 178.06718 134.3
[M]+ 157.09196 134.2
[M]- 157.09306 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.