CID 337596

56011-75-7

Structural Information

Molecular Formula

C₁₀H₁₀O₄

SMILES

CC1(OC2=C(O1)C=C(C=C2)C(=O)O)C

InChI

InChI=1S/C10H10O4/c1-10(2)13-7-4-3-6(9(11)12)5-8(7)14-10/h3-5H,1-2H3,(H,11,12)

InChIKey

GMULXWRTLFQMEG-UHFFFAOYSA-N

Compound name

2,2-dimethyl-1,3-benzodioxole-5-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 39
Patents: 194.0579 Da
Monoisotopic Mass: 1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	195.06518	136.9
[M+Na]+	217.04712	146.7
[M-H]-	193.05062	142.3
[M+NH4]+	212.09172	158.2
[M+K]+	233.02106	147.2
[M+H-H2O]+	177.05516	133.2
[M+HCOO]-	239.05610	157.0
[M+CH3COO]-	253.07175	179.8
[M+Na-2H]-	215.03257	144.6
[M]+	194.05735	140.4
[M]-	194.05845	140.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe