CID 883431

2-methyl-1,3-dioxoisoindoline-5-carboxylic acid

Structural Information

Molecular Formula
C10H7NO4
SMILES
CN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)O
InChI
InChI=1S/C10H7NO4/c1-11-8(12)6-3-2-5(10(14)15)4-7(6)9(11)13/h2-4H,1H3,(H,14,15)
InChIKey
JNOGAXDCJSTIRH-UHFFFAOYSA-N
Compound name
2-methyl-1,3-dioxoisoindole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

67
Patents

205.0375 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.04478 138.4
[M+Na]+ 228.02672 149.3
[M-H]- 204.03022 141.5
[M+NH4]+ 223.07132 158.8
[M+K]+ 244.00066 146.6
[M+H-H2O]+ 188.03476 133.3
[M+HCOO]- 250.03570 159.5
[M+CH3COO]- 264.05135 183.5
[M+Na-2H]- 226.01217 141.7
[M]+ 205.03695 140.1
[M]- 205.03805 140.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe