CID 1127

Tetrahydrothiophene

Structural Information

Molecular Formula
C4H8S
SMILES
C1CCSC1
InChI
InChI=1S/C4H8S/c1-2-4-5-3-1/h1-4H2
InChIKey
RAOIDOHSFRTOEL-UHFFFAOYSA-N
Compound name
thiolane
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

148
References

139331
Patents

88.03467 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 89.041946 115.5
[M+Na]+ 111.02389 122.5
[M-H]- 87.027394 119.0
[M+NH4]+ 106.06849 141.2
[M+K]+ 126.99783 122.1
[M+H-H2O]+ 71.031930 110.9
[M+HCOO]- 133.03287 134.2
[M+CH3COO]- 147.04852 160.3
[M+Na-2H]- 109.00934 118.9
[M]+ 88.034121 113.4
[M]- 88.035219 113.4
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

No patent data available for this compound.