CID 6398860

157518-70-2

Structural Information

Molecular Formula
C11H18O5
SMILES
CC(C)C[C@H]([C@H]1C(=O)OC(O1)(C)C)C(=O)O
InChI
InChI=1S/C11H18O5/c1-6(2)5-7(9(12)13)8-10(14)16-11(3,4)15-8/h6-8H,5H2,1-4H3,(H,12,13)/t7-,8+/m1/s1
InChIKey
ZUOVLWXPFQJYLF-SFYZADRCSA-N
Compound name
(2R)-2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]-4-methylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

87
Patents

230.11542 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.122696 149.8
[M+Na]+ 253.104638 156.2
[M-H]- 229.108144 153.3
[M+NH4]+ 248.149243 168.3
[M+K]+ 269.078578 158.3
[M+H-H2O]+ 213.112680 146.5
[M+HCOO]- 275.113621 166.6
[M+CH3COO]- 289.129271 189.1
[M+Na-2H]- 251.090086 151.2
[M]+ 230.11487142 152.8
[M]- 230.11596858 152.8
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