CID 446139

Oss

Structural Information

Molecular Formula
C11H24N2O2S3
SMILES
C(CCC(=O)N)C[C@@H](CCSCN)SSCCO
InChI
InChI=1S/C11H24N2O2S3/c12-9-16-7-5-10(18-17-8-6-14)3-1-2-4-11(13)15/h10,14H,1-9,12H2,(H2,13,15)/t10-/m0/s1
InChIKey
AWZFEUBHOTZTLC-JTQLQIEISA-N
Compound name
(6S)-8-(aminomethylsulfanyl)-6-(2-hydroxyethyldisulfanyl)octanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.1 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.10728 165.6
[M+Na]+ 335.08922 166.7
[M-H]- 311.09272 160.1
[M+NH4]+ 330.13382 177.7
[M+K]+ 351.06316 158.9
[M+H-H2O]+ 295.09726 157.7
[M+HCOO]- 357.09820 167.2
[M+CH3COO]- 371.11385 206.3
[M+Na-2H]- 333.07467 161.0
[M]+ 312.09945 165.3
[M]- 312.10055 165.3
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

No patent data available for this compound.