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 159.4
[M+Na]+ 274.10835 162.0
[M-H]- 250.11185 155.8
[M+NH4]+ 269.15295 174.7
[M+K]+ 290.08229 160.4
[M+H-H2O]+ 234.11639 153.1
[M+HCOO]- 296.11733 172.2
[M+CH3COO]- 310.13298 192.4
[M+Na-2H]- 272.09380 157.0
[M]+ 251.11858 162.5
[M]- 251.11968 162.5
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.