CID 102808

19506-89-9

Structural Information

Molecular Formula
C14H15NO4
SMILES
CC(C)CC(C(=O)O)N1C(=O)C2=CC=CC=C2C1=O
InChI
InChI=1S/C14H15NO4/c1-8(2)7-11(14(18)19)15-12(16)9-5-3-4-6-10(9)13(15)17/h3-6,8,11H,7H2,1-2H3,(H,18,19)
InChIKey
RMOSZIHTPMEZAP-UHFFFAOYSA-N
Compound name
2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

136
Patents

261.1001 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.10738 158.4
[M+Na]+ 284.08932 167.8
[M+NH4]+ 279.13392 164.0
[M+K]+ 300.06326 166.1
[M-H]- 260.09282 157.0
[M+Na-2H]- 282.07477 159.7
[M]+ 261.09955 158.9
[M]- 261.10065 158.9
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