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 151.7
[M+Na]+ 244.09779 155.2
[M-H]- 220.10129 148.4
[M+NH4]+ 239.14239 168.5
[M+K]+ 260.07173 152.8
[M+H-H2O]+ 204.10583 145.8
[M+HCOO]- 266.10677 165.7
[M+CH3COO]- 280.12242 186.4
[M+Na-2H]- 242.08324 150.9
[M]+ 221.10802 153.7
[M]- 221.10912 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.