CID 122163569

Methyl 2-azabicyclo[2.1.1]hexane-5-carboxylate hydrochloride

Structural Information

Molecular Formula
C7H11NO2
SMILES
COC(=O)C1C2CC1NC2
InChI
InChI=1S/C7H11NO2/c1-10-7(9)6-4-2-5(6)8-3-4/h4-6,8H,2-3H2,1H3
InChIKey
RTGGKLZTJDGSFV-UHFFFAOYSA-N
Compound name
methyl 2-azabicyclo[2.1.1]hexane-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 134.6
[M+Na]+ 164.068198 140.4
[M-H]- 140.071704 133.4
[M+NH4]+ 159.112803 154.9
[M+K]+ 180.042138 142.3
[M+H-H2O]+ 124.076240 127.2
[M+HCOO]- 186.077181 150.5
[M+CH3COO]- 200.092831 177.1
[M+Na-2H]- 162.053646 140.1
[M]+ 141.07843142 146.2
[M]- 141.07952858 146.2
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.