CID 137937497

2460748-83-6

Structural Information

Molecular Formula
C8H13NO2
SMILES
CC12CC(C1)(NC2)C(=O)OC
InChI
InChI=1S/C8H13NO2/c1-7-3-8(4-7,9-5-7)6(10)11-2/h9H,3-5H2,1-2H3
InChIKey
NJMNZCQEPWYJJT-UHFFFAOYSA-N
Compound name
methyl 4-methyl-2-azabicyclo[2.1.1]hexane-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 143.9
[M+Na]+ 178.083858 150.6
[M-H]- 154.087364 142.9
[M+NH4]+ 173.128463 167.3
[M+K]+ 194.057798 151.3
[M+H-H2O]+ 138.091900 137.6
[M+HCOO]- 200.092841 159.3
[M+CH3COO]- 214.108491 178.2
[M+Na-2H]- 176.069306 151.1
[M]+ 155.09409142 156.1
[M]- 155.09518858 156.1
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.