CID 16107

Alpha-oxy-hopa

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.12123 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.12851 156.0
[M+Na]+ 272.11045 158.8
[M+NH4]+ 267.15505 157.9
[M+K]+ 288.08439 160.2
[M-H]- 248.11395 149.3
[M+Na-2H]- 270.09590 152.8
[M]+ 249.12068 153.5
[M]- 249.12178 153.5
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.