CID 116769577

4-methoxy-2,2-dimethyloxane-4-carboxylic acid

Structural Information

Molecular Formula
C9H16O4
SMILES
CC1(CC(CCO1)(C(=O)O)OC)C
InChI
InChI=1S/C9H16O4/c1-8(2)6-9(12-3,7(10)11)4-5-13-8/h4-6H2,1-3H3,(H,10,11)
InChIKey
RBBDTBHJZIQXGP-UHFFFAOYSA-N
Compound name
4-methoxy-2,2-dimethyloxane-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.10486 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.112136 138.0
[M+Na]+ 211.094078 144.7
[M-H]- 187.097584 141.0
[M+NH4]+ 206.138683 159.7
[M+K]+ 227.068018 146.1
[M+H-H2O]+ 171.102120 134.6
[M+HCOO]- 233.103061 155.9
[M+CH3COO]- 247.118711 178.5
[M+Na-2H]- 209.079526 144.8
[M]+ 188.10431142 138.2
[M]- 188.10540858 138.2
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.