CID 140998

2-(1,3-dioxo-2,3-dihydro-1h-isoindol-2-yl)propanal

Structural Information

Molecular Formula
C11H9NO3
SMILES
CC(C=O)N1C(=O)C2=CC=CC=C2C1=O
InChI
InChI=1S/C11H9NO3/c1-7(6-13)12-10(14)8-4-2-3-5-9(8)11(12)15/h2-7H,1H3
InChIKey
HAFHCXUQAOHMMF-UHFFFAOYSA-N
Compound name
2-(1,3-dioxoisoindol-2-yl)propanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

203.05824 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.06552 140.2
[M+Na]+ 226.04746 150.3
[M-H]- 202.05096 144.1
[M+NH4]+ 221.09206 161.2
[M+K]+ 242.02140 147.7
[M+H-H2O]+ 186.05550 134.5
[M+HCOO]- 248.05644 162.3
[M+CH3COO]- 262.07209 185.6
[M+Na-2H]- 224.03291 144.0
[M]+ 203.05769 142.3
[M]- 203.05879 142.3
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