CID 86884

2-phthalimidopropionic acid

Structural Information

Molecular Formula

C₁₁H₉NO₄

SMILES

CC(C(=O)O)N1C(=O)C2=CC=CC=C2C1=O

InChI

InChI=1S/C11H9NO4/c1-6(11(15)16)12-9(13)7-4-2-3-5-8(7)10(12)14/h2-6H,1H3,(H,15,16)

InChIKey

OZWUITKBAWTEAQ-UHFFFAOYSA-N

Compound name

2-(1,3-dioxoisoindol-2-yl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 13
References: 621
Patents: 219.05316 Da
Monoisotopic Mass: 1.3
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]+	220.06044	143.7
[M+Na]+	242.04238	152.9
[M-H]-	218.04588	146.2
[M+NH4]+	237.08698	163.1
[M+K]+	258.01632	150.5
[M+H-H2O]+	202.05042	138.2
[M+HCOO]-	264.05136	163.4
[M+CH3COO]-	278.06701	186.2
[M+Na-2H]-	240.02783	145.9
[M]+	219.05261	144.7
[M]-	219.05371	144.7

Literature stripe

literature stripe

Patent stripe

patents stripe