CID 98185

3-(morpholinomethyl)-2-norbornanone

Structural Information

Molecular Formula
C12H19NO2
SMILES
C1CC2CC1C(C2=O)CN3CCOCC3
InChI
InChI=1S/C12H19NO2/c14-12-10-2-1-9(7-10)11(12)8-13-3-5-15-6-4-13/h9-11H,1-8H2
InChIKey
JDICLBMHNUZBSA-UHFFFAOYSA-N
Compound name
3-(morpholin-4-ylmethyl)bicyclo[2.2.1]heptan-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

0
Patents

209.14159 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.14887 148.3
[M+Na]+ 232.13081 153.3
[M-H]- 208.13431 152.5
[M+NH4]+ 227.17541 169.3
[M+K]+ 248.10475 151.9
[M+H-H2O]+ 192.13885 142.4
[M+HCOO]- 254.13979 164.1
[M+CH3COO]- 268.15544 159.9
[M+Na-2H]- 230.11626 149.3
[M]+ 209.14104 144.4
[M]- 209.14214 144.4
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

No patent data available for this compound.