CID 16227254

2-(1-methylidene-3-oxo-2,3-dihydro-1h-isoindol-2-yl)acetic acid

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]+ 204.065516 141.1
[M+Na]+ 226.047458 150.7
[M-H]- 202.050964 143.6
[M+NH4]+ 221.092063 161.3
[M+K]+ 242.021398 147.2
[M+H-H2O]+ 186.055500 135.6
[M+HCOO]- 248.056441 161.6
[M+CH3COO]- 262.072091 183.1
[M+Na-2H]- 224.032906 144.3
[M]+ 203.05769142 141.2
[M]- 203.05878858 141.2
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.