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]+ 192.06552 138.1
[M+Na]+ 214.04746 147.0
[M-H]- 190.05096 140.4
[M+NH4]+ 209.09206 158.6
[M+K]+ 230.02140 144.3
[M+H-H2O]+ 174.05550 132.4
[M+HCOO]- 236.05644 158.8
[M+CH3COO]- 250.07209 179.7
[M+Na-2H]- 212.03291 142.5
[M]+ 191.05769 138.2
[M]- 191.05879 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