CID 3052359

68704-79-0

Structural Information

Molecular Formula
C10H24N2O2S2
SMILES
C(CCSCC(CO)N)CSCC(CO)N
InChI
InChI=1S/C10H24N2O2S2/c11-9(5-13)7-15-3-1-2-4-16-8-10(12)6-14/h9-10,13-14H,1-8,11-12H2
InChIKey
KNNDOAJUMUGPLL-UHFFFAOYSA-N
Compound name
2-amino-3-[4-(2-amino-3-hydroxypropyl)sulfanylbutylsulfanyl]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

268.12793 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.13521 158.9
[M+Na]+ 291.11715 160.3
[M-H]- 267.12065 153.3
[M+NH4]+ 286.16175 172.7
[M+K]+ 307.09109 155.0
[M+H-H2O]+ 251.12519 151.8
[M+HCOO]- 313.12613 165.6
[M+CH3COO]- 327.14178 196.8
[M+Na-2H]- 289.10260 154.7
[M]+ 268.12738 158.1
[M]- 268.12848 158.1
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

patents stripe