CID 3065526

3-thiazoline, 2,2-diethyl-5-isopropyl-

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]+ 186.131106 141.0
[M+Na]+ 208.113048 148.8
[M-H]- 184.116554 143.5
[M+NH4]+ 203.157653 164.3
[M+K]+ 224.086988 147.2
[M+H-H2O]+ 168.121090 136.0
[M+HCOO]- 230.122031 157.0
[M+CH3COO]- 244.137681 182.9
[M+Na-2H]- 206.098496 141.5
[M]+ 185.12328142 143.5
[M]- 185.12437858 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.