CID 134714872

2059937-00-5

Structural Information

Molecular Formula
C8H13NO
SMILES
C1C2C(CN1)C3C2COC3
InChI
InChI=1S/C8H13NO/c1-5-6(2-9-1)8-4-10-3-7(5)8/h5-9H,1-4H2
InChIKey
LIIAQGIQXMCMMB-UHFFFAOYSA-N
Compound name
4-oxa-9-azatricyclo[5.3.0.02,6]decane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

139.09972 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.10700 121.4
[M+Na]+ 162.08894 127.1
[M-H]- 138.09244 124.5
[M+NH4]+ 157.13354 138.9
[M+K]+ 178.06288 128.9
[M+H-H2O]+ 122.09698 112.8
[M+HCOO]- 184.09792 138.1
[M+CH3COO]- 198.11357 134.4
[M+Na-2H]- 160.07439 126.4
[M]+ 139.09917 126.7
[M]- 139.10027 126.7
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.