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]+ 186.112476 150.6
[M+Na]+ 208.094418 156.5
[M-H]- 184.097924 149.3
[M+NH4]+ 203.139023 172.6
[M+K]+ 224.068358 157.6
[M+H-H2O]+ 168.102460 144.0
[M+HCOO]- 230.103401 165.7
[M+CH3COO]- 244.119051 183.0
[M+Na-2H]- 206.079866 157.5
[M]+ 185.10465142 164.5
[M]- 185.10574858 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.