CID 199406

Thiazole, 4,5-dihydro-2,4,4-trimethyl-

Structural Information

Molecular Formula
C6H11NS
SMILES
CC1=NC(CS1)(C)C
InChI
InChI=1S/C6H11NS/c1-5-7-6(2,3)4-8-5/h4H2,1-3H3
InChIKey
RHYWBMKYLKNBET-UHFFFAOYSA-N
Compound name
2,4,4-trimethyl-5H-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

47
References

42
Patents

129.06122 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.068496 122.9
[M+Na]+ 152.050438 132.8
[M-H]- 128.053944 126.0
[M+NH4]+ 147.095043 148.5
[M+K]+ 168.024378 131.7
[M+H-H2O]+ 112.058480 118.5
[M+HCOO]- 174.059421 141.2
[M+CH3COO]- 188.075071 170.1
[M+Na-2H]- 150.035886 126.5
[M]+ 129.06067142 124.6
[M]- 129.06176858 124.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe