CID 4372766

92147-32-5

Structural Information

Molecular Formula
C11H15NO3
SMILES
CCN1C(=O)C2C3CCC(C2C1=O)(O3)C
InChI
InChI=1S/C11H15NO3/c1-3-12-9(13)7-6-4-5-11(2,15-6)8(7)10(12)14/h6-8H,3-5H2,1-2H3
InChIKey
ACHPPPPCQUVBSN-UHFFFAOYSA-N
Compound name
2-ethyl-7-methyl-4,5,6,7a-tetrahydro-3aH-4,7-epoxyisoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.1052 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.11248 145.6
[M+Na]+ 232.09442 155.8
[M-H]- 208.09792 149.4
[M+NH4]+ 227.13902 172.1
[M+K]+ 248.06836 154.1
[M+H-H2O]+ 192.10246 143.1
[M+HCOO]- 254.10340 163.9
[M+CH3COO]- 268.11905 187.5
[M+Na-2H]- 230.07987 147.5
[M]+ 209.10465 148.1
[M]- 209.10575 148.1
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.