CID 123131571

N,n-dihydroxy-l-hexahomomethionine

Structural Information

Molecular Formula
C11H23NO4S
SMILES
CSCCCCCCCC[C@@H](C(=O)O)N(O)O
InChI
InChI=1S/C11H23NO4S/c1-17-9-7-5-3-2-4-6-8-10(11(13)14)12(15)16/h10,15-16H,2-9H2,1H3,(H,13,14)/t10-/m0/s1
InChIKey
HNSLELPGRITQOV-JTQLQIEISA-N
Compound name
(2S)-2-(dihydroxyamino)-10-methylsulfanyldecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.13477 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.14205 162.9
[M+Na]+ 288.12399 167.3
[M+NH4]+ 283.16859 167.4
[M+K]+ 304.09793 162.9
[M-H]- 264.12749 159.5
[M+Na-2H]- 286.10944 161.4
[M]+ 265.13422 162.4
[M]- 265.13532 162.4
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.