CID 3057226

73986-88-6

Structural Information

Molecular Formula
C12H19NO3
SMILES
CC(C)OC(=O)N1CC2C3CCC(C2C1)O3
InChI
InChI=1S/C12H19NO3/c1-7(2)15-12(14)13-5-8-9(6-13)11-4-3-10(8)16-11/h7-11H,3-6H2,1-2H3
InChIKey
IMPLAAIDGMVEHB-UHFFFAOYSA-N
Compound name
propan-2-yl 1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.13649 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.14377 151.5
[M+Na]+ 248.12571 157.8
[M+NH4]+ 243.17031 159.6
[M+K]+ 264.09965 159.8
[M-H]- 224.12921 151.2
[M+Na-2H]- 246.11116 148.7
[M]+ 225.13594 151.8
[M]- 225.13704 151.8
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.