CID 11298382

797038-41-6

Structural Information

Molecular Formula
C9H14O2S
SMILES
CC(C)(C)OC(=O)C1=CCSC1
InChI
InChI=1S/C9H14O2S/c1-9(2,3)11-8(10)7-4-5-12-6-7/h4H,5-6H2,1-3H3
InChIKey
OGSZOQAWKFKHIR-UHFFFAOYSA-N
Compound name
tert-butyl 2,5-dihydrothiophene-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.07146 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.07874 142.8
[M+Na]+ 209.06068 149.9
[M-H]- 185.06418 146.6
[M+NH4]+ 204.10528 165.1
[M+K]+ 225.03462 149.0
[M+H-H2O]+ 169.06872 138.1
[M+HCOO]- 231.06966 159.5
[M+CH3COO]- 245.08531 178.6
[M+Na-2H]- 207.04613 143.9
[M]+ 186.07091 145.3
[M]- 186.07201 145.3
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

No patent data available for this compound.