CID 96380

N-isobutylphthalimide

Structural Information

Molecular Formula
C12H13NO2
SMILES
CC(C)CN1C(=O)C2=CC=CC=C2C1=O
InChI
InChI=1S/C12H13NO2/c1-8(2)7-13-11(14)9-5-3-4-6-10(9)12(13)15/h3-6,8H,7H2,1-2H3
InChIKey
DLGAPXQHTIJNJA-UHFFFAOYSA-N
Compound name
2-(2-methylpropyl)isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

150
Patents

203.09464 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.10192 144.5
[M+Na]+ 226.08386 156.6
[M+NH4]+ 221.12846 152.6
[M+K]+ 242.05780 152.3
[M-H]- 202.08736 145.4
[M+Na-2H]- 224.06931 148.5
[M]+ 203.09409 146.3
[M]- 203.09519 146.3
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