CID 251544

7741-81-3

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 137.1
[M+Na]+ 204.06312 145.5
[M+NH4]+ 199.10772 145.7
[M+K]+ 220.03706 146.9
[M-H]- 180.06662 137.2
[M+Na-2H]- 202.04857 135.2
[M]+ 181.07335 137.9
[M]- 181.07445 137.9
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