CID 16227254

62100-28-1

Structural Information

Molecular Formula
C11H9NO3
SMILES
C=C1C2=CC=CC=C2C(=O)N1CC(=O)O
InChI
InChI=1S/C11H9NO3/c1-7-8-4-2-3-5-9(8)11(15)12(7)6-10(13)14/h2-5H,1,6H2,(H,13,14)
InChIKey
FRPPZAYXMSWNOB-UHFFFAOYSA-N
Compound name
2-(1-methylidene-3-oxoisoindol-2-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.05824 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.06552 142.9
[M+Na]+ 226.04746 154.2
[M+NH4]+ 221.09206 149.9
[M+K]+ 242.02140 150.9
[M-H]- 202.05096 142.6
[M+Na-2H]- 224.03291 146.0
[M]+ 203.05769 144.1
[M]- 203.05879 144.1
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

No patent data available for this compound.