CID 66369572

2-chloro-1-{8-oxa-3-azabicyclo[3.2.1]octan-3-yl}ethan-1-one

Structural Information

Molecular Formula
C8H12ClNO2
SMILES
C1CC2CN(CC1O2)C(=O)CCl
InChI
InChI=1S/C8H12ClNO2/c9-3-8(11)10-4-6-1-2-7(5-10)12-6/h6-7H,1-5H2
InChIKey
CEWOOUSAGKJZFT-UHFFFAOYSA-N
Compound name
2-chloro-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.05565 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.06293 139.5
[M+Na]+ 212.04487 146.7
[M-H]- 188.04837 140.9
[M+NH4]+ 207.08947 160.7
[M+K]+ 228.01881 145.0
[M+H-H2O]+ 172.05291 134.7
[M+HCOO]- 234.05385 151.7
[M+CH3COO]- 248.06950 179.3
[M+Na-2H]- 210.03032 144.1
[M]+ 189.05510 139.5
[M]- 189.05620 139.5
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.