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

12
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

literature stripe

Patent stripe

patents stripe