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]+ 210.112476 145.6
[M+Na]+ 232.094418 155.8
[M-H]- 208.097924 149.4
[M+NH4]+ 227.139023 172.1
[M+K]+ 248.068358 154.1
[M+H-H2O]+ 192.102460 143.1
[M+HCOO]- 254.103401 163.9
[M+CH3COO]- 268.119051 187.5
[M+Na-2H]- 230.079866 147.5
[M]+ 209.10465142 148.1
[M]- 209.10574858 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.