CID 526190

2-methylthiolane-2-thiol

Structural Information

Molecular Formula
C5H10S2
SMILES
CC1(CCCS1)S
InChI
InChI=1S/C5H10S2/c1-5(6)3-2-4-7-5/h6H,2-4H2,1H3
InChIKey
SVPXVYCUWKYTRA-UHFFFAOYSA-N
Compound name
2-methylthiolane-2-thiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

134.0224 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.02968 123.7
[M+Na]+ 157.01162 132.2
[M-H]- 133.01512 127.4
[M+NH4]+ 152.05622 150.0
[M+K]+ 172.98556 130.4
[M+H-H2O]+ 117.01966 120.2
[M+HCOO]- 179.02060 136.3
[M+CH3COO]- 193.03625 169.1
[M+Na-2H]- 154.99707 125.2
[M]+ 134.02185 123.8
[M]- 134.02295 123.8
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.