CID 5288561

3-formyl-2-hydroxy-5-methyl-hexanoic acid hydroxyamide

Structural Information

Molecular Formula
C8H15NO4
SMILES
CC(C)C[C@@H](C=O)[C@@H](C(=O)NO)O
InChI
InChI=1S/C8H15NO4/c1-5(2)3-6(4-10)7(11)8(12)9-13/h4-7,11,13H,3H2,1-2H3,(H,9,12)/t6-,7-/m0/s1
InChIKey
YVDHZNIQWHUORH-BQBZGAKWSA-N
Compound name
(2S,3R)-3-formyl-N,2-dihydroxy-5-methylhexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

189.10011 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.10739 143.5
[M+Na]+ 212.08933 147.8
[M-H]- 188.09283 140.8
[M+NH4]+ 207.13393 161.1
[M+K]+ 228.06327 147.8
[M+H-H2O]+ 172.09737 138.3
[M+HCOO]- 234.09831 162.0
[M+CH3COO]- 248.11396 182.2
[M+Na-2H]- 210.07478 143.5
[M]+ 189.09956 142.5
[M]- 189.10066 142.5
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