CID 21933431

90467-37-1

Structural Information

Molecular Formula
C11H9NO4
SMILES
CCC(=O)ON1C(=O)C2=CC=CC=C2C1=O
InChI
InChI=1S/C11H9NO4/c1-2-9(13)16-12-10(14)7-5-3-4-6-8(7)11(12)15/h3-6H,2H2,1H3
InChIKey
ZJQHNUUDZCLUIP-UHFFFAOYSA-N
Compound name
(1,3-dioxoisoindol-2-yl) propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

219.05316 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.060436 143.2
[M+Na]+ 242.042378 153.2
[M-H]- 218.045884 147.1
[M+NH4]+ 237.086983 163.5
[M+K]+ 258.016318 151.2
[M+H-H2O]+ 202.050420 137.3
[M+HCOO]- 264.051361 165.5
[M+CH3COO]- 278.067011 187.1
[M+Na-2H]- 240.027826 147.1
[M]+ 219.05261142 146.6
[M]- 219.05370858 146.6
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