CID 72207869

Methyl 2-azabicyclo[3.1.1]heptane-1-carboxylate hydrochloride

Structural Information

Molecular Formula
C8H13NO2
SMILES
COC(=O)C12CC(C1)CCN2
InChI
InChI=1S/C8H13NO2/c1-11-7(10)8-4-6(5-8)2-3-9-8/h6,9H,2-5H2,1H3
InChIKey
VABRIJQPJBDMNS-UHFFFAOYSA-N
Compound name
methyl 2-azabicyclo[3.1.1]heptane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.09464 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.101916 143.1
[M+Na]+ 178.083858 147.5
[M-H]- 154.087364 139.5
[M+NH4]+ 173.128463 161.5
[M+K]+ 194.057798 149.1
[M+H-H2O]+ 138.091900 134.3
[M+HCOO]- 200.092841 153.9
[M+CH3COO]- 214.108491 180.2
[M+Na-2H]- 176.069306 153.2
[M]+ 155.09409142 152.6
[M]- 155.09518858 152.6
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.