CID 123131508

N-hydroxy-l-hexahomomethionine

Structural Information

Molecular Formula
C11H23NO3S
SMILES
CSCCCCCCCC[C@@H](C(=O)O)NO
InChI
InChI=1S/C11H23NO3S/c1-16-9-7-5-3-2-4-6-8-10(12-15)11(13)14/h10,12,15H,2-9H2,1H3,(H,13,14)/t10-/m0/s1
InChIKey
YUVSLMOWLXLZEG-JTQLQIEISA-N
Compound name
(2S)-2-(hydroxyamino)-10-methylsulfanyldecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.13986 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.14714 159.9
[M+Na]+ 272.12908 165.2
[M+NH4]+ 267.17368 165.2
[M+K]+ 288.10302 159.3
[M-H]- 248.13258 157.3
[M+Na-2H]- 270.11453 159.2
[M]+ 249.13931 159.8
[M]- 249.14041 159.8
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.