CID 251544

4,7-epoxy-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1h-isoindole-1,3-dione

Structural Information

Molecular Formula
C9H11NO3
SMILES
CN1C(=O)C2C3CCC(C2C1=O)O3
InChI
InChI=1S/C9H11NO3/c1-10-8(11)6-4-2-3-5(13-4)7(6)9(10)12/h4-7H,2-3H2,1H3
InChIKey
QSASUQOUORMUIV-UHFFFAOYSA-N
Compound name
2-methyl-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

181.0739 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.08118 137.6
[M+Na]+ 204.06312 147.6
[M-H]- 180.06662 141.5
[M+NH4]+ 199.10772 163.3
[M+K]+ 220.03706 146.7
[M+H-H2O]+ 164.07116 134.9
[M+HCOO]- 226.07210 156.7
[M+CH3COO]- 240.08775 151.9
[M+Na-2H]- 202.04857 139.3
[M]+ 181.07335 139.2
[M]- 181.07445 139.2
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