CID 16108

Beta-oxy-hopa

Structural Information

Molecular Formula
C10H19NO6
SMILES
CC(C)(CO)C(C(=O)NCC(CC(=O)O)O)O
InChI
InChI=1S/C10H19NO6/c1-10(2,5-12)8(16)9(17)11-4-6(13)3-7(14)15/h6,8,12-13,16H,3-5H2,1-2H3,(H,11,17)(H,14,15)
InChIKey
ZVEGMUCVUVZGRJ-UHFFFAOYSA-N
Compound name
4-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]-3-hydroxybutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 156.5
[M+Na]+ 272.11045 159.1
[M-H]- 248.11395 150.7
[M+NH4]+ 267.15505 170.0
[M+K]+ 288.08439 158.9
[M+H-H2O]+ 232.11849 151.6
[M+HCOO]- 294.11943 170.2
[M+CH3COO]- 308.13508 188.4
[M+Na-2H]- 270.09590 155.8
[M]+ 249.12068 154.8
[M]- 249.12178 154.8
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.