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]+ 190.062926 139.5
[M+Na]+ 212.044868 146.7
[M-H]- 188.048374 140.9
[M+NH4]+ 207.089473 160.7
[M+K]+ 228.018808 145.0
[M+H-H2O]+ 172.052910 134.7
[M+HCOO]- 234.053851 151.7
[M+CH3COO]- 248.069501 179.3
[M+Na-2H]- 210.030316 144.1
[M]+ 189.05510142 139.5
[M]- 189.05619858 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.