CID 3035656

N-(3,5-dideoxy-3-methyl-d-xylonoyl)-2-methyl-l-serine

Structural Information

Molecular Formula
C10H19NO6
SMILES
CC(C(C(C)O)O)C(=O)NC(C)(CO)C(=O)O
InChI
InChI=1S/C10H19NO6/c1-5(7(14)6(2)13)8(15)11-10(3,4-12)9(16)17/h5-7,12-14H,4H2,1-3H3,(H,11,15)(H,16,17)
InChIKey
XXCXSSMNJUZBQI-UHFFFAOYSA-N
Compound name
2-[(3,4-dihydroxy-2-methylpentanoyl)amino]-3-hydroxy-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

249.12123 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.12851 155.7
[M+Na]+ 272.11045 158.2
[M+NH4]+ 267.15505 157.5
[M+K]+ 288.08439 160.5
[M-H]- 248.11395 148.8
[M+Na-2H]- 270.09590 152.3
[M]+ 249.12068 153.1
[M]- 249.12178 153.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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