CID 10921962

83540-97-0

Structural Information

Molecular Formula

C₁₀H₁₈O₅

SMILES

CC(C)OC(=O)C[C@H](C(=O)OC(C)C)O

InChI

InChI=1S/C10H18O5/c1-6(2)14-9(12)5-8(11)10(13)15-7(3)4/h6-8,11H,5H2,1-4H3/t8-/m1/s1

InChIKey

XYVHRFVONMVDGK-MRVPVSSYSA-N

Compound name

dipropan-2-yl (2R)-2-hydroxybutanedioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 113
Patents: 218.11542 Da
Monoisotopic Mass: 0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	219.12270	149.7
[M+Na]+	241.10464	154.4
[M-H]-	217.10814	148.3
[M+NH4]+	236.14924	167.3
[M+K]+	257.07858	155.9
[M+H-H2O]+	201.11268	144.7
[M+HCOO]-	263.11362	167.4
[M+CH3COO]-	277.12927	188.0
[M+Na-2H]-	239.09009	148.1
[M]+	218.11487	153.1
[M]-	218.11597	153.1

Literature stripe

literature stripe

Patent stripe

patents stripe