CID 129322209

2137649-44-4

Structural Information

Molecular Formula
C8H13NO2
SMILES
COC(=O)[C@]12CC[C@H]1CNC2
InChI
InChI=1S/C8H13NO2/c1-11-7(10)8-3-2-6(8)4-9-5-8/h6,9H,2-5H2,1H3/t6-,8-/m0/s1
InChIKey
CLEFZPCEAGICME-XPUUQOCRSA-N
Compound name
methyl (1R,5R)-3-azabicyclo[3.2.0]heptane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

155.09464 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.101916 133.2
[M+Na]+ 178.083858 138.6
[M-H]- 154.087364 134.7
[M+NH4]+ 173.128463 150.2
[M+K]+ 194.057798 140.1
[M+H-H2O]+ 138.091900 124.0
[M+HCOO]- 200.092841 150.8
[M+CH3COO]- 214.108491 175.4
[M+Na-2H]- 176.069306 138.0
[M]+ 155.09409142 139.5
[M]- 155.09518858 139.5
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

patents stripe