CID 22148

2,2,4-trimethyl-1,3-dithiolane

Structural Information

Molecular Formula
C6H12S2
SMILES
CC1CSC(S1)(C)C
InChI
InChI=1S/C6H12S2/c1-5-4-7-6(2,3)8-5/h5H,4H2,1-3H3
InChIKey
CRVLTUAGMFKJEA-UHFFFAOYSA-N
Compound name
2,2,4-trimethyl-1,3-dithiolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

148.03804 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.04532 126.7
[M+Na]+ 171.02726 135.5
[M-H]- 147.03076 130.5
[M+NH4]+ 166.07186 152.7
[M+K]+ 187.00120 133.4
[M+H-H2O]+ 131.03530 123.3
[M+HCOO]- 193.03624 138.9
[M+CH3COO]- 207.05189 173.1
[M+Na-2H]- 169.01271 127.2
[M]+ 148.03749 127.5
[M]- 148.03859 127.5
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