CID 524170

2-methylthiolane-3-thiol

Structural Information

Molecular Formula
C5H10S2
SMILES
CC1C(CCS1)S
InChI
InChI=1S/C5H10S2/c1-4-5(6)2-3-7-4/h4-6H,2-3H2,1H3
InChIKey
DPEXPKGKIRGPKJ-UHFFFAOYSA-N
Compound name
2-methylthiolane-3-thiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

134.0224 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.02968 124.2
[M+Na]+ 157.01162 132.9
[M-H]- 133.01512 128.1
[M+NH4]+ 152.05622 148.9
[M+K]+ 172.98556 130.8
[M+H-H2O]+ 117.01966 120.0
[M+HCOO]- 179.02060 136.8
[M+CH3COO]- 193.03625 170.5
[M+Na-2H]- 154.99707 123.5
[M]+ 134.02185 124.3
[M]- 134.02295 124.3
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.