CID 131229534

2-methoxy-3,3-dimethylpentanoic acid

Structural Information

Molecular Formula
C8H16O3
SMILES
CCC(C)(C)C(C(=O)O)OC
InChI
InChI=1S/C8H16O3/c1-5-8(2,3)6(11-4)7(9)10/h6H,5H2,1-4H3,(H,9,10)
InChIKey
NDURMHNPTWBLGM-UHFFFAOYSA-N
Compound name
2-methoxy-3,3-dimethylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

160.10994 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.117216 135.7
[M+Na]+ 183.099158 142.0
[M-H]- 159.102664 134.7
[M+NH4]+ 178.143763 156.0
[M+K]+ 199.073098 142.5
[M+H-H2O]+ 143.107200 131.8
[M+HCOO]- 205.108141 154.8
[M+CH3COO]- 219.123791 177.6
[M+Na-2H]- 181.084606 139.5
[M]+ 160.10939142 137.7
[M]- 160.11048858 137.7
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.