CID 55246892

3850-33-7

Structural Information

Molecular Formula
C14H15NO4
SMILES
CC(C)(C)C(C(=O)O)N1C(=O)C2=CC=CC=C2C1=O
InChI
InChI=1S/C14H15NO4/c1-14(2,3)10(13(18)19)15-11(16)8-6-4-5-7-9(8)12(15)17/h4-7,10H,1-3H3,(H,18,19)
InChIKey
RZEIABQUGXEDJK-UHFFFAOYSA-N
Compound name
2-(1,3-dioxoisoindol-2-yl)-3,3-dimethylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

261.1001 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.10738 157.6
[M+Na]+ 284.08932 165.9
[M-H]- 260.09282 160.0
[M+NH4]+ 279.13392 175.5
[M+K]+ 300.06326 163.4
[M+H-H2O]+ 244.09736 152.5
[M+HCOO]- 306.09830 174.7
[M+CH3COO]- 320.11395 194.9
[M+Na-2H]- 282.07477 159.4
[M]+ 261.09955 159.1
[M]- 261.10065 159.1
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

No patent data available for this compound.