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]+ 250.128506 156.5
[M+Na]+ 272.110448 159.1
[M-H]- 248.113954 150.7
[M+NH4]+ 267.155053 170.0
[M+K]+ 288.084388 158.9
[M+H-H2O]+ 232.118490 151.6
[M+HCOO]- 294.119431 170.2
[M+CH3COO]- 308.135081 188.4
[M+Na-2H]- 270.095896 155.8
[M]+ 249.12068142 154.8
[M]- 249.12177858 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.