CID 20825298

1392803-66-5

Structural Information

Molecular Formula
C7H11NO2
SMILES
COC(=O)C12CC(C1)CN2
InChI
InChI=1S/C7H11NO2/c1-10-6(9)7-2-5(3-7)4-8-7/h5,8H,2-4H2,1H3
InChIKey
PMQOKQDKGFHFLI-UHFFFAOYSA-N
Compound name
methyl 2-azabicyclo[2.1.1]hexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

141.07898 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.086256 136.9
[M+Na]+ 164.068198 142.9
[M-H]- 140.071704 135.7
[M+NH4]+ 159.112803 158.8
[M+K]+ 180.042138 144.3
[M+H-H2O]+ 124.076240 129.9
[M+HCOO]- 186.077181 152.7
[M+CH3COO]- 200.092831 175.6
[M+Na-2H]- 162.053646 143.8
[M]+ 141.07843142 148.4
[M]- 141.07952858 148.4
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

patents stripe