CID 90659194

N,n-dihydroxy-l-tetrahomomethionine

Structural Information

Molecular Formula
C9H19NO4S
SMILES
CSCCCCCC[C@@H](C(=O)O)N(O)O
InChI
InChI=1S/C9H19NO4S/c1-15-7-5-3-2-4-6-8(9(11)12)10(13)14/h8,13-14H,2-7H2,1H3,(H,11,12)/t8-/m0/s1
InChIKey
BMIHHOYYQXWVEG-QMMMGPOBSA-N
Compound name
(2S)-2-(dihydroxyamino)-8-methylsulfanyloctanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.10349 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.11077 155.0
[M+Na]+ 260.09271 158.1
[M-H]- 236.09621 151.6
[M+NH4]+ 255.13731 170.9
[M+K]+ 276.06665 156.7
[M+H-H2O]+ 220.10075 148.9
[M+HCOO]- 282.10169 168.2
[M+CH3COO]- 296.11734 189.4
[M+Na-2H]- 258.07816 153.2
[M]+ 237.10294 157.8
[M]- 237.10404 157.8
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.