CID 75525

2436-29-5

Structural Information

Molecular Formula
C11H9NO3
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)CCC=O
InChI
InChI=1S/C11H9NO3/c13-7-3-6-12-10(14)8-4-1-2-5-9(8)11(12)15/h1-2,4-5,7H,3,6H2
InChIKey
IBSDSIHTMABATG-UHFFFAOYSA-N
Compound name
3-(1,3-dioxoisoindol-2-yl)propanal
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

469
Patents

203.05824 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.065516 140.1
[M+Na]+ 226.047458 150.5
[M-H]- 202.050964 143.9
[M+NH4]+ 221.092063 161.1
[M+K]+ 242.021398 147.4
[M+H-H2O]+ 186.055500 134.2
[M+HCOO]- 248.056441 163.2
[M+CH3COO]- 262.072091 184.7
[M+Na-2H]- 224.032906 145.0
[M]+ 203.05769142 142.8
[M]- 203.05878858 142.8
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