CID 22087852

157182-65-5

Structural Information

Molecular Formula
C8H13NO
SMILES
C1CC2C3CNCC3C1O2
InChI
InChI=1S/C8H13NO/c1-2-8-6-4-9-3-5(6)7(1)10-8/h5-9H,1-4H2
InChIKey
GPLRZNABQAUBOS-UHFFFAOYSA-N
Compound name
2,3,3a,4,5,6,7,7a-octahydro-1H-4,7-epoxyisoindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

242
Patents

139.09972 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.106996 130.2
[M+Na]+ 162.088938 137.3
[M-H]- 138.092444 131.8
[M+NH4]+ 157.133543 156.2
[M+K]+ 178.062878 136.2
[M+H-H2O]+ 122.096980 126.4
[M+HCOO]- 184.097921 147.5
[M+CH3COO]- 198.113571 143.4
[M+Na-2H]- 160.074386 133.4
[M]+ 139.09917142 127.0
[M]- 139.10026858 127.0
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