CID 1084844

2-methyl-3-oxoisoindoline-4-carboxylic acid

Structural Information

Molecular Formula
C10H9NO3
SMILES
CN1CC2=C(C1=O)C(=CC=C2)C(=O)O
InChI
InChI=1S/C10H9NO3/c1-11-5-6-3-2-4-7(10(13)14)8(6)9(11)12/h2-4H,5H2,1H3,(H,13,14)
InChIKey
DUMZHWJYINJEAY-UHFFFAOYSA-N
Compound name
2-methyl-3-oxo-1H-isoindole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

191.05824 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.06552 139.1
[M+Na]+ 214.04746 150.5
[M+NH4]+ 209.09206 146.5
[M+K]+ 230.02140 147.6
[M-H]- 190.05096 139.1
[M+Na-2H]- 212.03291 142.6
[M]+ 191.05769 140.4
[M]- 191.05879 140.4
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

patents stripe