CID 217518

38920-51-3

Structural Information

Molecular Formula
C10H17NO3S3
SMILES
C1=CSC=C1CCCCNCCSS(=O)(=O)O
InChI
InChI=1S/C10H17NO3S3/c12-17(13,14)16-8-6-11-5-2-1-3-10-4-7-15-9-10/h4,7,9,11H,1-3,5-6,8H2,(H,12,13,14)
InChIKey
LKHJXBUNHXIANF-UHFFFAOYSA-N
Compound name
3-[4-(2-sulfosulfanylethylamino)butyl]thiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.03705 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.04433 165.7
[M+Na]+ 318.02627 171.8
[M-H]- 294.02977 166.1
[M+NH4]+ 313.07087 181.8
[M+K]+ 334.00021 164.8
[M+H-H2O]+ 278.03431 159.6
[M+HCOO]- 340.03525 172.4
[M+CH3COO]- 354.05090 195.4
[M+Na-2H]- 316.01172 165.8
[M]+ 295.03650 168.4
[M]- 295.03760 168.4
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.