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 156.1
[M+Na]+ 272.11045 158.5
[M-H]- 248.11395 150.4
[M+NH4]+ 267.15505 169.6
[M+K]+ 288.08439 159.0
[M+H-H2O]+ 232.11849 151.4
[M+HCOO]- 294.11943 168.8
[M+CH3COO]- 308.13508 189.5
[M+Na-2H]- 270.09590 154.2
[M]+ 249.12068 153.8
[M]- 249.12178 153.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe