CID 137168

2,5-dihydrothiophene

Structural Information

Molecular Formula
C4H6S
SMILES
C1C=CCS1
InChI
InChI=1S/C4H6S/c1-2-4-5-3-1/h1-2H,3-4H2
InChIKey
WURYWHAKEJHAOV-UHFFFAOYSA-N
Compound name
2,5-dihydrothiophene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

4584
Patents

86.01902 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 87.026296 113.3
[M+Na]+ 109.00824 121.4
[M-H]- 85.011744 117.3
[M+NH4]+ 104.05284 139.3
[M+K]+ 124.98218 120.8
[M+H-H2O]+ 69.016280 108.8
[M+HCOO]- 131.01722 133.5
[M+CH3COO]- 145.03287 159.9
[M+Na-2H]- 106.99369 117.8
[M]+ 86.018471 112.7
[M]- 86.019569 112.7
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