CID 3065526

108284-87-3

Structural Information

Molecular Formula
C10H19NS
SMILES
CCC1(N=CC(S1)C(C)C)CC
InChI
InChI=1S/C10H19NS/c1-5-10(6-2)11-7-9(12-10)8(3)4/h7-9H,5-6H2,1-4H3
InChIKey
XUMHJYCYOAAZCN-UHFFFAOYSA-N
Compound name
2,2-diethyl-5-propan-2-yl-5H-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.12383 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.13111 141.0
[M+Na]+ 208.11305 148.8
[M-H]- 184.11655 143.5
[M+NH4]+ 203.15765 164.3
[M+K]+ 224.08699 147.2
[M+H-H2O]+ 168.12109 136.0
[M+HCOO]- 230.12203 157.0
[M+CH3COO]- 244.13768 182.9
[M+Na-2H]- 206.09850 141.5
[M]+ 185.12328 143.5
[M]- 185.12438 143.5
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.