CID 86528

Alpha-phthalimido-beta-methylbutyraldehyde

Structural Information

Molecular Formula
C13H13NO3
SMILES
CC(C)C(C=O)N1C(=O)C2=CC=CC=C2C1=O
InChI
InChI=1S/C13H13NO3/c1-8(2)11(7-15)14-12(16)9-5-3-4-6-10(9)13(14)17/h3-8,11H,1-2H3
InChIKey
BERZBIGQXSVCBJ-UHFFFAOYSA-N
Compound name
2-(1,3-dioxoisoindol-2-yl)-3-methylbutanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

231.08954 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.09682 151.0
[M+Na]+ 254.07876 162.0
[M+NH4]+ 249.12336 157.9
[M+K]+ 270.05270 158.8
[M-H]- 230.08226 150.9
[M+Na-2H]- 252.06421 153.9
[M]+ 231.08899 152.2
[M]- 231.09009 152.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe