CID 165713010

2742660-49-5

Structural Information

Molecular Formula
C8H13NO2
SMILES
CC1C2CC(C2)(N1)C(=O)OC
InChI
InChI=1S/C8H13NO2/c1-5-6-3-8(4-6,9-5)7(10)11-2/h5-6,9H,3-4H2,1-2H3
InChIKey
LYIYUUIVVSVZTB-UHFFFAOYSA-N
Compound name
methyl 3-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 141.9
[M+Na]+ 178.083858 148.3
[M-H]- 154.087364 140.8
[M+NH4]+ 173.128463 163.6
[M+K]+ 194.057798 149.5
[M+H-H2O]+ 138.091900 135.2
[M+HCOO]- 200.092841 157.3
[M+CH3COO]- 214.108491 179.5
[M+Na-2H]- 176.069306 147.7
[M]+ 155.09409142 154.1
[M]- 155.09518858 154.1
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.