CID 52947

Brn 5050027

Structural Information

Molecular Formula
C13H14N2O3
SMILES
CNC(=O)CCCN1C(=O)C2=CC=CC=C2C1=O
InChI
InChI=1S/C13H14N2O3/c1-14-11(16)7-4-8-15-12(17)9-5-2-3-6-10(9)13(15)18/h2-3,5-6H,4,7-8H2,1H3,(H,14,16)
InChIKey
TYVCNAIERHFOFR-UHFFFAOYSA-N
Compound name
4-(1,3-dioxoisoindol-2-yl)-N-methylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

246.10045 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.107726 153.9
[M+Na]+ 269.089668 162.2
[M-H]- 245.093174 157.3
[M+NH4]+ 264.134273 172.7
[M+K]+ 285.063608 159.0
[M+H-H2O]+ 229.097710 147.3
[M+HCOO]- 291.098651 176.3
[M+CH3COO]- 305.114301 196.0
[M+Na-2H]- 267.075116 157.0
[M]+ 246.09990142 155.8
[M]- 246.10099858 155.8
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

No patent data available for this compound.