CID 78185

6-(1,3-dioxoisoindol-2-yl)hexanoic acid

Structural Information

Molecular Formula
C14H15NO4
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCCC(=O)O
InChI
InChI=1S/C14H15NO4/c16-12(17)8-2-1-5-9-15-13(18)10-6-3-4-7-11(10)14(15)19/h3-4,6-7H,1-2,5,8-9H2,(H,16,17)
InChIKey
QJDSLDWVMCWWCO-UHFFFAOYSA-N
Compound name
6-(1,3-dioxoisoindol-2-yl)hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

297
Patents

261.1001 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.10738 157.8
[M+Na]+ 284.08932 165.9
[M-H]- 260.09282 159.6
[M+NH4]+ 279.13392 175.5
[M+K]+ 300.06326 162.3
[M+H-H2O]+ 244.09736 151.5
[M+HCOO]- 306.09830 177.4
[M+CH3COO]- 320.11395 194.3
[M+Na-2H]- 282.07477 159.5
[M]+ 261.09955 160.4
[M]- 261.10065 160.4
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.