CID 74963

Thiophene, 2,5-dihydro-3-(4-methyl-3-pentenyl)-, 1,1-dioxide

Structural Information

Molecular Formula
C10H16O2S
SMILES
CC(=CCCC1=CCS(=O)(=O)C1)C
InChI
InChI=1S/C10H16O2S/c1-9(2)4-3-5-10-6-7-13(11,12)8-10/h4,6H,3,5,7-8H2,1-2H3
InChIKey
NKPPFFZEYUIUAH-UHFFFAOYSA-N
Compound name
3-(4-methylpent-3-enyl)-2,5-dihydrothiophene 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6
Patents

200.0871 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.09438 142.9
[M+Na]+ 223.07632 151.3
[M-H]- 199.07982 146.8
[M+NH4]+ 218.12092 166.7
[M+K]+ 239.05026 148.7
[M+H-H2O]+ 183.08436 138.8
[M+HCOO]- 245.08530 161.0
[M+CH3COO]- 259.10095 181.0
[M+Na-2H]- 221.06177 143.6
[M]+ 200.08655 145.6
[M]- 200.08765 145.6
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