CID 14321409

(3as,7ar)-3a,7a-dimethyl-4,5,6,7-tetrahydro-4,7-epoxyisoindole-1,3-dione

Structural Information

Molecular Formula
C10H13NO3
SMILES
C[C@]12C3CCC([C@]1(C(=O)NC2=O)C)O3
InChI
InChI=1S/C10H13NO3/c1-9-5-3-4-6(14-5)10(9,2)8(13)11-7(9)12/h5-6H,3-4H2,1-2H3,(H,11,12,13)/t5?,6?,9-,10+
InChIKey
PHOUKBDDOYWEMY-OBDNUKKESA-N
Compound name
(3aS,7aR)-3a,7a-dimethyl-4,5,6,7-tetrahydro-4,7-epoxyisoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.08954 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.09682 140.9
[M+Na]+ 218.07876 151.4
[M-H]- 194.08226 143.5
[M+NH4]+ 213.12336 169.0
[M+K]+ 234.05270 149.0
[M+H-H2O]+ 178.08680 139.0
[M+HCOO]- 240.08774 158.1
[M+CH3COO]- 254.10339 154.7
[M+Na-2H]- 216.06421 144.9
[M]+ 195.08899 141.4
[M]- 195.09009 141.4
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.