CID 3063086

N-(1-deoxy-d-fructos-1-yl)-l-n-nitrosomethionine

Structural Information

Molecular Formula
C11H20N2O8S
SMILES
CSCC[C@@H](C(=O)O)N(CC(=O)[C@H]([C@@H]([C@@H](CO)O)O)O)N=O
InChI
InChI=1S/C11H20N2O8S/c1-22-3-2-6(11(19)20)13(12-21)4-7(15)9(17)10(18)8(16)5-14/h6,8-10,14,16-18H,2-5H2,1H3,(H,19,20)/t6-,8+,9+,10+/m0/s1
InChIKey
LLNBRXUUPYKMFT-JZKKDOLYSA-N
Compound name
(2S)-4-methylsulfanyl-2-[nitroso-[(3S,4R,5R)-3,4,5,6-tetrahydroxy-2-oxohexyl]amino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.09402 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.10130 174.2
[M+Na]+ 363.08324 173.4
[M-H]- 339.08674 168.7
[M+NH4]+ 358.12784 196.2
[M+K]+ 379.05718 174.6
[M+H-H2O]+ 323.09128 166.9
[M+HCOO]- 385.09222 186.6
[M+CH3COO]- 399.10787 209.8
[M+Na-2H]- 361.06869 168.3
[M]+ 340.09347 176.7
[M]- 340.09457 176.7
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.