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]+ 236.13150 156.1
[M+Na]+ 258.11344 159.1
[M-H]- 234.11694 152.5
[M+NH4]+ 253.15804 172.3
[M+K]+ 274.08738 156.4
[M+H-H2O]+ 218.12148 149.9
[M+HCOO]- 280.12242 169.7
[M+CH3COO]- 294.13807 189.4
[M+Na-2H]- 256.09889 154.7
[M]+ 235.12367 158.4
[M]- 235.12477 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.