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]+ 172.11545 136.2
[M+Na]+ 194.09739 144.8
[M-H]- 170.10089 138.8
[M+NH4]+ 189.14199 160.1
[M+K]+ 210.07133 142.9
[M+H-H2O]+ 154.10543 131.2
[M+HCOO]- 216.10637 153.6
[M+CH3COO]- 230.12202 179.1
[M+Na-2H]- 192.08284 138.2
[M]+ 171.10762 139.0
[M]- 171.10872 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.