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]+ 142.08626 134.6
[M+Na]+ 164.06820 140.4
[M-H]- 140.07170 133.4
[M+NH4]+ 159.11280 154.9
[M+K]+ 180.04214 142.3
[M+H-H2O]+ 124.07624 127.2
[M+HCOO]- 186.07718 150.5
[M+CH3COO]- 200.09283 177.1
[M+Na-2H]- 162.05365 140.1
[M]+ 141.07843 146.2
[M]- 141.07953 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.