CID 123131551

N,n-dihydroxy-l-pentahomomethionine

Structural Information

Molecular Formula
C10H21NO4S
SMILES
CSCCCCCCC[C@@H](C(=O)O)N(O)O
InChI
InChI=1S/C10H21NO4S/c1-16-8-6-4-2-3-5-7-9(10(12)13)11(14)15/h9,14-15H,2-8H2,1H3,(H,12,13)/t9-/m0/s1
InChIKey
RIBOHFDQFNREER-VIFPVBQESA-N
Compound name
(2S)-2-(dihydroxyamino)-9-methylsulfanylnonanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.11913 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.12641 158.7
[M+Na]+ 274.10835 163.3
[M+NH4]+ 269.15295 163.4
[M+K]+ 290.08229 159.1
[M-H]- 250.11185 155.4
[M+Na-2H]- 272.09380 157.5
[M]+ 251.11858 158.2
[M]- 251.11968 158.2
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.