CID 165882631

Methyl 1-(methoxymethyl)-2-azabicyclo[2.1.1]hexane-4-carboxylate hydrochloride

Structural Information

Molecular Formula
C9H15NO3
SMILES
COCC12CC(C1)(CN2)C(=O)OC
InChI
InChI=1S/C9H15NO3/c1-12-6-9-3-8(4-9,5-10-9)7(11)13-2/h10H,3-6H2,1-2H3
InChIKey
HHGGDBSAQPOMMM-UHFFFAOYSA-N
Compound name
methyl 1-(methoxymethyl)-2-azabicyclo[2.1.1]hexane-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.1052 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.11248 150.6
[M+Na]+ 208.09442 156.5
[M-H]- 184.09792 149.3
[M+NH4]+ 203.13902 172.6
[M+K]+ 224.06836 157.6
[M+H-H2O]+ 168.10246 144.0
[M+HCOO]- 230.10340 165.7
[M+CH3COO]- 244.11905 183.0
[M+Na-2H]- 206.07987 157.5
[M]+ 185.10465 164.5
[M]- 185.10575 164.5
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.