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 161.0
[M+Na]+ 288.12062 168.5
[M+NH4]+ 283.16522 166.5
[M+K]+ 304.09456 167.2
[M-H]- 264.12412 159.2
[M+Na-2H]- 286.10607 160.4
[M]+ 265.13085 160.9
[M]- 265.13195 160.9
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.