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]+ 189.11214 138.0
[M+Na]+ 211.09408 144.7
[M-H]- 187.09758 141.0
[M+NH4]+ 206.13868 159.7
[M+K]+ 227.06802 146.1
[M+H-H2O]+ 171.10212 134.6
[M+HCOO]- 233.10306 155.9
[M+CH3COO]- 247.11871 178.5
[M+Na-2H]- 209.07953 144.8
[M]+ 188.10431 138.2
[M]- 188.10541 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.