CID 16766586

7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxylic acid

Structural Information

Molecular Formula
C10H10O4
SMILES
CC1=CC2=C(C=C1C(=O)O)OCCO2
InChI
InChI=1S/C10H10O4/c1-6-4-8-9(14-3-2-13-8)5-7(6)10(11)12/h4-5H,2-3H2,1H3,(H,11,12)
InChIKey
VZONDJNDHJLBMY-UHFFFAOYSA-N
Compound name
7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

194.0579 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.06518 137.9
[M+Na]+ 217.04712 150.6
[M+NH4]+ 212.09172 146.0
[M+K]+ 233.02106 146.3
[M-H]- 193.05062 141.9
[M+Na-2H]- 215.03257 141.9
[M]+ 194.05735 140.8
[M]- 194.05845 140.8
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

patents stripe