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

14
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 137.5
[M+Na]+ 217.04712 145.4
[M-H]- 193.05062 142.2
[M+NH4]+ 212.09172 154.8
[M+K]+ 233.02106 145.9
[M+H-H2O]+ 177.05516 131.9
[M+HCOO]- 239.05610 155.4
[M+CH3COO]- 253.07175 180.8
[M+Na-2H]- 215.03257 145.3
[M]+ 194.05735 138.4
[M]- 194.05845 138.4
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