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 160.4
[M+Na]+ 272.12908 163.0
[M-H]- 248.13258 156.6
[M+NH4]+ 267.17368 176.0
[M+K]+ 288.10302 160.1
[M+H-H2O]+ 232.13712 154.0
[M+HCOO]- 294.13806 173.7
[M+CH3COO]- 308.15371 192.4
[M+Na-2H]- 270.11453 158.6
[M]+ 249.13931 163.1
[M]- 249.14041 163.1
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

No patent data available for this compound.