CID 87020

17253-11-1

Structural Information

Molecular Formula
C10H10O4
SMILES
C1COC2=C(O1)C=CC(=C2)CC(=O)O
InChI
InChI=1S/C10H10O4/c11-10(12)6-7-1-2-8-9(5-7)14-4-3-13-8/h1-2,5H,3-4,6H2,(H,11,12)
InChIKey
BVRNERFWPQRVJB-UHFFFAOYSA-N
Compound name
2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

274
Patents

194.0579 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.06518 137.6
[M+Na]+ 217.04712 144.5
[M-H]- 193.05062 141.9
[M+NH4]+ 212.09172 154.5
[M+K]+ 233.02106 145.0
[M+H-H2O]+ 177.05516 131.8
[M+HCOO]- 239.05610 155.5
[M+CH3COO]- 253.07175 179.6
[M+Na-2H]- 215.03257 146.0
[M]+ 194.05735 138.0
[M]- 194.05845 138.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe