CID 3063703

3-thiazoline, 2,2,5-triethyl-

Structural Information

Molecular Formula
C9H17NS
SMILES
CCC1C=NC(S1)(CC)CC
InChI
InChI=1S/C9H17NS/c1-4-8-7-10-9(5-2,6-3)11-8/h7-8H,4-6H2,1-3H3
InChIKey
XDKQRSMUECEDPF-UHFFFAOYSA-N
Compound name
2,2,5-triethyl-5H-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.10817 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.115446 136.2
[M+Na]+ 194.097388 144.8
[M-H]- 170.100894 138.8
[M+NH4]+ 189.141993 160.1
[M+K]+ 210.071328 142.9
[M+H-H2O]+ 154.105430 131.2
[M+HCOO]- 216.106371 153.6
[M+CH3COO]- 230.122021 179.1
[M+Na-2H]- 192.082836 138.2
[M]+ 171.10762142 139.0
[M]- 171.10871858 139.0
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.