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]+ 222.115846 151.7
[M+Na]+ 244.097788 155.2
[M-H]- 220.101294 148.4
[M+NH4]+ 239.142393 168.5
[M+K]+ 260.071728 152.8
[M+H-H2O]+ 204.105830 145.8
[M+HCOO]- 266.106771 165.7
[M+CH3COO]- 280.122421 186.4
[M+Na-2H]- 242.083236 150.9
[M]+ 221.10802142 153.7
[M]- 221.10911858 153.7
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.