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

243
Patents

139.09972 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.10700 130.2
[M+Na]+ 162.08894 137.3
[M-H]- 138.09244 131.8
[M+NH4]+ 157.13354 156.2
[M+K]+ 178.06288 136.2
[M+H-H2O]+ 122.09698 126.4
[M+HCOO]- 184.09792 147.5
[M+CH3COO]- 198.11357 143.4
[M+Na-2H]- 160.07439 133.4
[M]+ 139.09917 127.0
[M]- 139.10027 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