CID 3054544

71354-19-3

Structural Information

Molecular Formula
C13H15NO3S2
SMILES
C1=CC=C2C(=C1)C=CC=C2CNCCSS(=O)(=O)O
InChI
InChI=1S/C13H15NO3S2/c15-19(16,17)18-9-8-14-10-12-6-3-5-11-4-1-2-7-13(11)12/h1-7,14H,8-10H2,(H,15,16,17)
InChIKey
OEAZUPBIMWLXMV-UHFFFAOYSA-N
Compound name
1-[(2-sulfosulfanylethylamino)methyl]naphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.04935 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.05663 162.2
[M+Na]+ 320.03857 172.6
[M+NH4]+ 315.08317 170.1
[M+K]+ 336.01251 162.9
[M-H]- 296.04207 164.0
[M+Na-2H]- 318.02402 167.3
[M]+ 297.04880 165.1
[M]- 297.04990 165.1
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.