CID 3614551

(1s,4s)-2-oxa-5-azabicyclo[2.2.1]heptane hydrobromide

Structural Information

Molecular Formula
C5H9NO
SMILES
C1C2CNC1CO2
InChI
InChI=1S/C5H9NO/c1-4-3-7-5(1)2-6-4/h4-6H,1-3H2
InChIKey
DIQOUXNTSMWQSA-UHFFFAOYSA-N
Compound name
2-oxa-5-azabicyclo[2.2.1]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8540
Patents

99.06841 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 100.075686 117.6
[M+Na]+ 122.057628 124.9
[M-H]- 98.061134 118.2
[M+NH4]+ 117.102233 142.5
[M+K]+ 138.031568 124.9
[M+H-H2O]+ 82.065670 113.3
[M+HCOO]- 144.066611 136.8
[M+CH3COO]- 158.082261 131.6
[M+Na-2H]- 120.043076 124.3
[M]+ 99.06786142 114.7
[M]- 99.06895858 114.7
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