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]+ 156.10192 131.6
[M+Na]+ 178.08386 134.2
[M+NH4]+ 173.12846 139.1
[M+K]+ 194.05780 131.7
[M-H]- 154.08736 125.3
[M+Na-2H]- 176.06931 129.6
[M]+ 155.09409 128.9
[M]- 155.09519 128.9
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.