CID 22332

2,2-dimethyl-1,3-dithiolane

Structural Information

Molecular Formula
C5H10S2
SMILES
CC1(SCCS1)C
InChI
InChI=1S/C5H10S2/c1-5(2)6-3-4-7-5/h3-4H2,1-2H3
InChIKey
HEDYXMHGMMWNBO-UHFFFAOYSA-N
Compound name
2,2-dimethyl-1,3-dithiolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

234
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

literature stripe

Patent stripe

patents stripe