CID 44134909

56594-86-6

Structural Information

Molecular Formula
C9H20NOS
SMILES
CCC(=O)SC(C)C[N+](C)(C)C
InChI
InChI=1S/C9H20NOS/c1-6-9(11)12-8(2)7-10(3,4)5/h8H,6-7H2,1-5H3/q+1
InChIKey
OEZLDQCKRRAYHM-UHFFFAOYSA-N
Compound name
trimethyl(2-propanoylsulfanylpropyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.12656 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.13384 139.5
[M+Na]+ 213.11578 145.2
[M-H]- 189.11928 141.5
[M+NH4]+ 208.16038 160.3
[M+K]+ 229.08972 139.5
[M+H-H2O]+ 173.12382 137.2
[M+HCOO]- 235.12476 155.8
[M+CH3COO]- 249.14041 183.1
[M+Na-2H]- 211.10123 143.4
[M]+ 190.12601 141.9
[M]- 190.12711 141.9
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

No patent data available for this compound.