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

12
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

literature stripe

Patent stripe

patents stripe