CID 14584563

62100-29-2

Structural Information

Molecular Formula
C12H11NO3
SMILES
CC(C(=O)O)N1C(=C)C2=CC=CC=C2C1=O
InChI
InChI=1S/C12H11NO3/c1-7-9-5-3-4-6-10(9)11(14)13(7)8(2)12(15)16/h3-6,8H,1H2,2H3,(H,15,16)
InChIKey
BUVFACKZPHADQE-UHFFFAOYSA-N
Compound name
2-(1-methylidene-3-oxoisoindol-2-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.0739 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.08118 147.1
[M+Na]+ 240.06312 157.8
[M+NH4]+ 235.10772 153.8
[M+K]+ 256.03706 155.1
[M-H]- 216.06662 146.6
[M+Na-2H]- 238.04857 149.6
[M]+ 217.07335 148.1
[M]- 217.07445 148.1
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.