CID 165917126

1-(methoxymethyl)-2-azabicyclo[2.1.1]hexane-4-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C8H13NO3
SMILES
COCC12CC(C1)(CN2)C(=O)O
InChI
InChI=1S/C8H13NO3/c1-12-5-8-2-7(3-8,4-9-8)6(10)11/h9H,2-5H2,1H3,(H,10,11)
InChIKey
RJRNTTDQSNISNE-UHFFFAOYSA-N
Compound name
1-(methoxymethyl)-2-azabicyclo[2.1.1]hexane-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.08954 Da
Monoisotopic Mass

-3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.09682 147.6
[M+Na]+ 194.07876 153.4
[M-H]- 170.08226 145.1
[M+NH4]+ 189.12336 169.4
[M+K]+ 210.05270 153.9
[M+H-H2O]+ 154.08680 141.3
[M+HCOO]- 216.08774 161.5
[M+CH3COO]- 230.10339 178.4
[M+Na-2H]- 192.06421 154.6
[M]+ 171.08899 159.5
[M]- 171.09009 159.5
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.