CID 519539

18277-27-5

Structural Information

Molecular Formula
C7H11NS
SMILES
CCC(C)C1=NC=CS1
InChI
InChI=1S/C7H11NS/c1-3-6(2)7-8-4-5-9-7/h4-6H,3H2,1-2H3
InChIKey
MHJSWOZJMPIGJQ-UHFFFAOYSA-N
Compound name
2-butan-2-yl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

1
References

331
Patents

141.06122 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.06850 128.5
[M+Na]+ 164.05044 137.1
[M-H]- 140.05394 131.3
[M+NH4]+ 159.09504 151.4
[M+K]+ 180.02438 135.7
[M+H-H2O]+ 124.05848 122.8
[M+HCOO]- 186.05942 146.9
[M+CH3COO]- 200.07507 173.0
[M+Na-2H]- 162.03589 130.5
[M]+ 141.06067 130.7
[M]- 141.06177 130.7
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