CID 90658255

N-hydroxy-l-tetrahomomethionine

Structural Information

Molecular Formula
C9H19NO3S
SMILES
CSCCCCCC[C@@H](C(=O)O)NO
InChI
InChI=1S/C9H19NO3S/c1-14-7-5-3-2-4-6-8(10-13)9(11)12/h8,10,13H,2-7H2,1H3,(H,11,12)/t8-/m0/s1
InChIKey
CGCGAIDHWUSRHO-QMMMGPOBSA-N
Compound name
(2S)-2-(hydroxyamino)-8-methylsulfanyloctanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.10857 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.11585 151.5
[M+Na]+ 244.09779 157.2
[M+NH4]+ 239.14239 157.1
[M+K]+ 260.07173 151.7
[M-H]- 220.10129 149.0
[M+Na-2H]- 242.08324 151.2
[M]+ 221.10802 151.5
[M]- 221.10912 151.5
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.