CID 210810

21679-17-4

Structural Information

Molecular Formula
C5H13NO3S2
SMILES
C(CCN)CCSS(=O)(=O)O
InChI
InChI=1S/C5H13NO3S2/c6-4-2-1-3-5-10-11(7,8)9/h1-6H2,(H,7,8,9)
InChIKey
ULFADZCQQPUNCM-UHFFFAOYSA-N
Compound name
1-amino-5-sulfosulfanylpentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

199.03369 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.04097 142.5
[M+Na]+ 222.02291 148.8
[M+NH4]+ 217.06751 148.8
[M+K]+ 237.99685 141.9
[M-H]- 198.02641 140.3
[M+Na-2H]- 220.00836 142.6
[M]+ 199.03314 143.3
[M]- 199.03424 143.3
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

patents stripe