CID 4992564

69705-72-2

Structural Information

Molecular Formula
C14H19NO4
SMILES
CC(C)CC(C(=O)O)N1C(=O)C2CC=CCC2C1=O
InChI
InChI=1S/C14H19NO4/c1-8(2)7-11(14(18)19)15-12(16)9-5-3-4-6-10(9)13(15)17/h3-4,8-11H,5-7H2,1-2H3,(H,18,19)
InChIKey
WOYPYWBRVFMWEQ-UHFFFAOYSA-N
Compound name
2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-4-methylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

265.1314 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.13868 160.6
[M+Na]+ 288.12062 166.1
[M-H]- 264.12412 161.8
[M+NH4]+ 283.16522 177.8
[M+K]+ 304.09456 163.9
[M+H-H2O]+ 248.12866 154.9
[M+HCOO]- 310.12960 175.2
[M+CH3COO]- 324.14525 197.0
[M+Na-2H]- 286.10607 158.1
[M]+ 265.13085 159.1
[M]- 265.13195 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

No patent data available for this compound.