CID 85055

2,5-dihydro-2,2,4-trimethylthiazole

Structural Information

Molecular Formula
C6H11NS
SMILES
CC1=NC(SC1)(C)C
InChI
InChI=1S/C6H11NS/c1-5-4-8-6(2,3)7-5/h4H2,1-3H3
InChIKey
MWCRBRYMIOQZAQ-UHFFFAOYSA-N
Compound name
2,2,4-trimethyl-5H-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

14
Patents

129.06122 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.06850 122.9
[M+Na]+ 152.05044 132.8
[M-H]- 128.05394 126.0
[M+NH4]+ 147.09504 148.5
[M+K]+ 168.02438 131.7
[M+H-H2O]+ 112.05848 118.5
[M+HCOO]- 174.05942 141.2
[M+CH3COO]- 188.07507 170.1
[M+Na-2H]- 150.03589 126.5
[M]+ 129.06067 124.6
[M]- 129.06177 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