CID 18703638

933709-69-4

Structural Information

Molecular Formula
C11H11NO3
SMILES
CN1C(C2=CC=CC=C2C1=O)CC(=O)O
InChI
InChI=1S/C11H11NO3/c1-12-9(6-10(13)14)7-4-2-3-5-8(7)11(12)15/h2-5,9H,6H2,1H3,(H,13,14)
InChIKey
SFQWGMRYVMVYKQ-UHFFFAOYSA-N
Compound name
2-(2-methyl-3-oxo-1H-isoindol-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

205.0739 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.081176 142.4
[M+Na]+ 228.063118 151.7
[M-H]- 204.066624 144.8
[M+NH4]+ 223.107723 162.6
[M+K]+ 244.037058 148.8
[M+H-H2O]+ 188.071160 136.8
[M+HCOO]- 250.072101 162.7
[M+CH3COO]- 264.087751 183.9
[M+Na-2H]- 226.048566 145.6
[M]+ 205.07335142 143.2
[M]- 205.07444858 143.2
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

patents stripe