CID 6113665

38489-70-2

Structural Information

Molecular Formula
C10H8O4
SMILES
C1OC2=CC=CC(=C2O1)/C=C/C(=O)O
InChI
InChI=1S/C10H8O4/c11-9(12)5-4-7-2-1-3-8-10(7)14-6-13-8/h1-5H,6H2,(H,11,12)/b5-4+
InChIKey
NWSIULATLGKZGF-SNAWJCMRSA-N
Compound name
(E)-3-(1,3-benzodioxol-4-yl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

192.04225 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.04953 137.3
[M+Na]+ 215.03147 145.5
[M-H]- 191.03497 141.9
[M+NH4]+ 210.07607 156.3
[M+K]+ 231.00541 145.2
[M+H-H2O]+ 175.03951 132.6
[M+HCOO]- 237.04045 157.6
[M+CH3COO]- 251.05610 177.6
[M+Na-2H]- 213.01692 144.2
[M]+ 192.04170 139.1
[M]- 192.04280 139.1
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