CID 2331949

27855-25-0

Structural Information

Molecular Formula

C₁₀H₉NO₅

SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)NCC(=O)O

InChI

InChI=1S/C10H9NO5/c12-9(13)4-11-10(14)6-1-2-7-8(3-6)16-5-15-7/h1-3H,4-5H2,(H,11,14)(H,12,13)

InChIKey

FWHKWFNOFSQUIU-UHFFFAOYSA-N

Compound name

2-(1,3-benzodioxole-5-carbonylamino)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 57
Patents: 223.04807 Da
Monoisotopic Mass: 0.5
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]+	224.05535	145.9
[M+Na]+	246.03729	154.9
[M+NH4]+	241.08189	152.1
[M+K]+	262.01123	154.2
[M-H]-	222.04079	148.2
[M+Na-2H]-	244.02274	147.7
[M]+	223.04752	147.4
[M]-	223.04862	147.4

Literature stripe

literature stripe

Patent stripe

patents stripe