CID 59007337

1566545-33-2

Structural Information

Molecular Formula
C10H9NO3
SMILES
C1C2=C(CN1C=O)C=C(C=C2)C(=O)O
InChI
InChI=1S/C10H9NO3/c12-6-11-4-8-2-1-7(10(13)14)3-9(8)5-11/h1-3,6H,4-5H2,(H,13,14)
InChIKey
SGNSBHUWYILWPF-UHFFFAOYSA-N
Compound name
2-formyl-1,3-dihydroisoindole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

191.05824 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.065516 138.1
[M+Na]+ 214.047458 147.0
[M-H]- 190.050964 140.4
[M+NH4]+ 209.092063 158.6
[M+K]+ 230.021398 144.3
[M+H-H2O]+ 174.055500 132.4
[M+HCOO]- 236.056441 158.8
[M+CH3COO]- 250.072091 179.7
[M+Na-2H]- 212.032906 142.5
[M]+ 191.05769142 138.2
[M]- 191.05878858 138.2
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