CID 39071

2-methyl-4-propylthiazole

Structural Information

Molecular Formula
C7H11NS
SMILES
CCCC1=CSC(=N1)C
InChI
InChI=1S/C7H11NS/c1-3-4-7-5-9-6(2)8-7/h5H,3-4H2,1-2H3
InChIKey
KPTRSWJGYUCLLM-UHFFFAOYSA-N
Compound name
2-methyl-4-propyl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

135
Patents

141.06122 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.068496 127.3
[M+Na]+ 164.050438 137.1
[M-H]- 140.053944 130.4
[M+NH4]+ 159.095043 150.6
[M+K]+ 180.024378 135.2
[M+H-H2O]+ 124.058480 121.8
[M+HCOO]- 186.059421 146.8
[M+CH3COO]- 200.075071 173.2
[M+Na-2H]- 162.035886 129.8
[M]+ 141.06067142 130.4
[M]- 141.06176858 130.4
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

patents stripe