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 143.9
[M+Na]+ 178.08386 150.6
[M-H]- 154.08736 142.9
[M+NH4]+ 173.12846 167.3
[M+K]+ 194.05780 151.3
[M+H-H2O]+ 138.09190 137.6
[M+HCOO]- 200.09284 159.3
[M+CH3COO]- 214.10849 178.2
[M+Na-2H]- 176.06931 151.1
[M]+ 155.09409 156.1
[M]- 155.09519 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.