CID 120850

(+-)-s-(2-(dimethylamino)-1-phenylethyl) thiosulfate

Structural Information

Molecular Formula
C10H15NO3S2
SMILES
CN(C)CC(C1=CC=CC=C1)SS(=O)(=O)O
InChI
InChI=1S/C10H15NO3S2/c1-11(2)8-10(15-16(12,13)14)9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3,(H,12,13,14)
InChIKey
BPYPOPUJTIOIHL-UHFFFAOYSA-N
Compound name
[2-(dimethylamino)-1-sulfosulfanylethyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.04935 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.05663 155.7
[M+Na]+ 284.03857 161.5
[M-H]- 260.04207 158.6
[M+NH4]+ 279.08317 172.2
[M+K]+ 300.01251 158.0
[M+H-H2O]+ 244.04661 149.1
[M+HCOO]- 306.04755 167.0
[M+CH3COO]- 320.06320 194.1
[M+Na-2H]- 282.02402 157.3
[M]+ 261.04880 159.0
[M]- 261.04990 159.0
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.