CID 69405850

6-oxa-2-azabicyclo[3.2.1]octane hydrochloride

Structural Information

Molecular Formula
C6H11NO
SMILES
C1CNC2CC1OC2
InChI
InChI=1S/C6H11NO/c1-2-7-5-3-6(1)8-4-5/h5-7H,1-4H2
InChIKey
JLTCTKIHRFDBFU-UHFFFAOYSA-N
Compound name
6-oxa-2-azabicyclo[3.2.1]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

73
Patents

113.08406 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.09134 120.9
[M+Na]+ 136.07328 126.9
[M-H]- 112.07678 121.0
[M+NH4]+ 131.11788 143.5
[M+K]+ 152.04722 126.4
[M+H-H2O]+ 96.081320 115.8
[M+HCOO]- 158.08226 137.6
[M+CH3COO]- 172.09791 133.8
[M+Na-2H]- 134.05873 128.7
[M]+ 113.08351 116.2
[M]- 113.08461 116.2
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