CID 206245

2-isopropyl-4,5-dihydrothiazole

Structural Information

Molecular Formula
C6H11NS
SMILES
CC(C)C1=NCCS1
InChI
InChI=1S/C6H11NS/c1-5(2)6-7-3-4-8-6/h5H,3-4H2,1-2H3
InChIKey
HTSOMKXWOBFXMF-UHFFFAOYSA-N
Compound name
2-propan-2-yl-4,5-dihydro-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

84
Patents

129.06122 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.068496 125.9
[M+Na]+ 152.050438 133.8
[M-H]- 128.053944 128.5
[M+NH4]+ 147.095043 149.2
[M+K]+ 168.024378 133.0
[M+H-H2O]+ 112.058480 120.4
[M+HCOO]- 174.059421 143.2
[M+CH3COO]- 188.075071 170.3
[M+Na-2H]- 150.035886 127.5
[M]+ 129.06067142 126.3
[M]- 129.06176858 126.3
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