CID 21155

(1,3-dithiolan-2-ylidene)dimethylammonium bromide

Structural Information

Molecular Formula
C5H10NS2
SMILES
C[N+](=C1SCCS1)C
InChI
InChI=1S/C5H10NS2/c1-6(2)5-7-3-4-8-5/h3-4H2,1-2H3/q+1
InChIKey
OOWWSVCXJZJIBE-UHFFFAOYSA-N
Compound name
1,3-dithiolan-2-ylidene(dimethyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

148.02547 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.03275 125.8
[M+Na]+ 171.01469 133.0
[M-H]- 147.01819 130.9
[M+NH4]+ 166.05929 149.5
[M+K]+ 186.98863 126.2
[M+H-H2O]+ 131.02273 123.3
[M+HCOO]- 193.02367 139.6
[M+CH3COO]- 207.03932 169.4
[M+Na-2H]- 169.00014 128.0
[M]+ 148.02492 123.4
[M]- 148.02602 123.4
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.