CID 106676209

1692638-60-0

Structural Information

Molecular Formula
C8H16O4
SMILES
CC(C)(CC(C(=O)OC)O)OC
InChI
InChI=1S/C8H16O4/c1-8(2,12-4)5-6(9)7(10)11-3/h6,9H,5H2,1-4H3
InChIKey
AXEZJDTVWBVYIZ-UHFFFAOYSA-N
Compound name
methyl 2-hydroxy-4-methoxy-4-methylpentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.10486 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.112136 138.7
[M+Na]+ 199.094078 145.0
[M-H]- 175.097584 137.7
[M+NH4]+ 194.138683 158.4
[M+K]+ 215.068018 146.0
[M+H-H2O]+ 159.102120 134.6
[M+HCOO]- 221.103061 158.0
[M+CH3COO]- 235.118711 178.9
[M+Na-2H]- 197.079526 142.6
[M]+ 176.10431142 142.2
[M]- 176.10540858 142.2
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.