CID 76201

2913-97-5

Structural Information

Molecular Formula
C10H7NO3
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)CC=O
InChI
InChI=1S/C10H7NO3/c12-6-5-11-9(13)7-3-1-2-4-8(7)10(11)14/h1-4,6H,5H2
InChIKey
LMRDBJZQDUVCQH-UHFFFAOYSA-N
Compound name
2-(1,3-dioxoisoindol-2-yl)acetaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

805
Patents

189.04259 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.049866 135.4
[M+Na]+ 212.031808 146.2
[M-H]- 188.035314 139.4
[M+NH4]+ 207.076413 157.0
[M+K]+ 228.005748 143.3
[M+H-H2O]+ 172.039850 129.7
[M+HCOO]- 234.040791 158.8
[M+CH3COO]- 248.056441 181.7
[M+Na-2H]- 210.017256 140.9
[M]+ 189.04204142 137.7
[M]- 189.04313858 137.7
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