CID 124202389

N-hydroxy-l-pentahomomethionine

Structural Information

Molecular Formula
C10H21NO3S
SMILES
CSCCCCCCC[C@@H](C(=O)O)NO
InChI
InChI=1S/C10H21NO3S/c1-15-8-6-4-2-3-5-7-9(11-14)10(12)13/h9,11,14H,2-8H2,1H3,(H,12,13)/t9-/m0/s1
InChIKey
DPWLWTOLQTUIJL-VIFPVBQESA-N
Compound name
(2S)-2-(hydroxyamino)-9-methylsulfanylnonanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.12422 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.131496 156.1
[M+Na]+ 258.113438 159.1
[M-H]- 234.116944 152.5
[M+NH4]+ 253.158043 172.3
[M+K]+ 274.087378 156.4
[M+H-H2O]+ 218.121480 149.9
[M+HCOO]- 280.122421 169.7
[M+CH3COO]- 294.138071 189.4
[M+Na-2H]- 256.098886 154.7
[M]+ 235.12367142 158.4
[M]- 235.12476858 158.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.