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 163.7
[M+Na]+ 288.12399 165.9
[M-H]- 264.12749 159.9
[M+NH4]+ 283.16859 178.5
[M+K]+ 304.09793 164.0
[M+H-H2O]+ 248.13203 157.2
[M+HCOO]- 310.13297 176.2
[M+CH3COO]- 324.14862 195.4
[M+Na-2H]- 286.10944 160.9
[M]+ 265.13422 167.2
[M]- 265.13532 167.2
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.