CID 6992236

7506-66-3

Structural Information

Molecular Formula
C8H11NO2
SMILES
C1CC[C@H]2[C@@H](C1)C(=O)NC2=O
InChI
InChI=1S/C8H11NO2/c10-7-5-3-1-2-4-6(5)8(11)9-7/h5-6H,1-4H2,(H,9,10,11)/t5-,6+
InChIKey
WLDMPODMCFGWAA-OLQVQODUSA-N
Compound name
(3aR,7aS)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1837
Patents

153.07898 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.08626 132.5
[M+Na]+ 176.06820 142.0
[M+NH4]+ 171.11280 140.7
[M+K]+ 192.04214 138.4
[M-H]- 152.07170 132.6
[M+Na-2H]- 174.05365 134.7
[M]+ 153.07843 133.4
[M]- 153.07953 133.4
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