CID 122706144

N-hydroxy-l-trihomomethionine

Structural Information

Molecular Formula
C8H17NO3S
SMILES
CSCCCCC[C@@H](C(=O)O)NO
InChI
InChI=1S/C8H17NO3S/c1-13-6-4-2-3-5-7(9-12)8(10)11/h7,9,12H,2-6H2,1H3,(H,10,11)/t7-/m0/s1
InChIKey
JCEAPZJPOHTKKJ-ZETCQYMHSA-N
Compound name
(2S)-2-(hydroxyamino)-7-methylsulfanylheptanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.09291 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.10019 147.4
[M+Na]+ 230.08213 151.3
[M-H]- 206.08563 144.2
[M+NH4]+ 225.12673 164.7
[M+K]+ 246.05607 149.1
[M+H-H2O]+ 190.09017 141.6
[M+HCOO]- 252.09111 161.7
[M+CH3COO]- 266.10676 183.5
[M+Na-2H]- 228.06758 147.0
[M]+ 207.09236 149.0
[M]- 207.09346 149.0
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.