CID 9860421

Phthalimidoperoxycaproic acid

Structural Information

Molecular Formula
C14H15NO5
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCCC(=O)OO
InChI
InChI=1S/C14H15NO5/c16-12(20-19)8-2-1-5-9-15-13(17)10-6-3-4-7-11(10)14(15)18/h3-4,6-7,19H,1-2,5,8-9H2
InChIKey
UZJGVXSQDRSSHU-UHFFFAOYSA-N
Compound name
6-(1,3-dioxoisoindol-2-yl)hexaneperoxoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

7351
Patents

277.09503 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.10231 162.4
[M+Na]+ 300.08425 172.0
[M+NH4]+ 295.12885 167.7
[M+K]+ 316.05819 169.2
[M-H]- 276.08775 160.9
[M+Na-2H]- 298.06970 163.8
[M]+ 277.09448 162.9
[M]- 277.09558 162.9
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

patents stripe