CID 165669390

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

Structural Information

Molecular Formula
C6H11NO
SMILES
COC12CC(C1)NC2
InChI
InChI=1S/C6H11NO/c1-8-6-2-5(3-6)7-4-6/h5,7H,2-4H2,1H3
InChIKey
GGTRPCOOMSVVMG-UHFFFAOYSA-N
Compound name
4-methoxy-2-azabicyclo[2.1.1]hexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

113.08406 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.091336 127.8
[M+Na]+ 136.073278 134.6
[M-H]- 112.076784 126.8
[M+NH4]+ 131.117883 151.1
[M+K]+ 152.047218 135.8
[M+H-H2O]+ 96.081320 120.9
[M+HCOO]- 158.082261 144.8
[M+CH3COO]- 172.097911 140.8
[M+Na-2H]- 134.058726 136.5
[M]+ 113.08351142 139.1
[M]- 113.08460858 139.1
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.