CID 10313174

Spiro[1-azabicyclo[2.2.2]octane-3,2'-oxirane]

Structural Information

Molecular Formula
C8H13NO
SMILES
C1CN2CCC1C3(C2)CO3
InChI
InChI=1S/C8H13NO/c1-3-9-4-2-7(1)8(5-9)6-10-8/h7H,1-6H2
InChIKey
TYCHQBRUARUTCL-UHFFFAOYSA-N
Compound name
spiro[1-azabicyclo[2.2.2]octane-3,2'-oxirane]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

72
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 132.0
[M+Na]+ 162.08894 139.4
[M-H]- 138.09244 132.0
[M+NH4]+ 157.13354 152.1
[M+K]+ 178.06288 138.4
[M+H-H2O]+ 122.09698 125.1
[M+HCOO]- 184.09792 142.1
[M+CH3COO]- 198.11357 143.3
[M+Na-2H]- 160.07439 145.3
[M]+ 139.09917 134.8
[M]- 139.10027 134.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe