CID 375372

Nsc655039

Structural Information

Molecular Formula
C5H8OS2
SMILES
CC1C(SC(=O)S1)C
InChI
InChI=1S/C5H8OS2/c1-3-4(2)8-5(6)7-3/h3-4H,1-2H3
InChIKey
CQUCRFYNCROOIS-UHFFFAOYSA-N
Compound name
4,5-dimethyl-1,3-dithiolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

148.00166 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.00894 126.7
[M+Na]+ 170.99088 136.2
[M-H]- 146.99438 130.9
[M+NH4]+ 166.03548 150.9
[M+K]+ 186.96482 133.8
[M+H-H2O]+ 130.99892 122.7
[M+HCOO]- 192.99986 139.6
[M+CH3COO]- 207.01551 172.6
[M+Na-2H]- 168.97633 125.5
[M]+ 148.00111 127.9
[M]- 148.00221 127.9
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

patents stripe