CID 165669187

4-ethoxy-2-azabicyclo[2.1.1]hexane hydrochloride

Structural Information

Molecular Formula
C7H13NO
SMILES
CCOC12CC(C1)NC2
InChI
InChI=1S/C7H13NO/c1-2-9-7-3-6(4-7)8-5-7/h6,8H,2-5H2,1H3
InChIKey
HEAKJADBAYCAFU-UHFFFAOYSA-N
Compound name
4-ethoxy-2-azabicyclo[2.1.1]hexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

127.09972 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.10700 132.5
[M+Na]+ 150.08894 138.9
[M-H]- 126.09244 131.4
[M+NH4]+ 145.13354 155.3
[M+K]+ 166.06288 139.9
[M+H-H2O]+ 110.09698 125.5
[M+HCOO]- 172.09792 149.2
[M+CH3COO]- 186.11357 174.4
[M+Na-2H]- 148.07439 140.7
[M]+ 127.09917 144.1
[M]- 127.10027 144.1
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.