CID 211465

23185-09-3

Structural Information

Molecular Formula
C6H11NS
SMILES
CCCC1=NCCS1
InChI
InChI=1S/C6H11NS/c1-2-3-6-7-4-5-8-6/h2-5H2,1H3
InChIKey
FOHLKSYCRUXPJC-UHFFFAOYSA-N
Compound name
2-propyl-4,5-dihydro-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

91
Patents

129.06122 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.068496 125.3
[M+Na]+ 152.050438 133.6
[M-H]- 128.053944 127.8
[M+NH4]+ 147.095043 148.6
[M+K]+ 168.024378 132.3
[M+H-H2O]+ 112.058480 119.7
[M+HCOO]- 174.059421 143.7
[M+CH3COO]- 188.075071 169.5
[M+Na-2H]- 150.035886 128.0
[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