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]+ 177.11214 138.7
[M+Na]+ 199.09408 145.0
[M-H]- 175.09758 137.7
[M+NH4]+ 194.13868 158.4
[M+K]+ 215.06802 146.0
[M+H-H2O]+ 159.10212 134.6
[M+HCOO]- 221.10306 158.0
[M+CH3COO]- 235.11871 178.9
[M+Na-2H]- 197.07953 142.6
[M]+ 176.10431 142.2
[M]- 176.10541 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.