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]+ 156.10192 141.9
[M+Na]+ 178.08386 148.3
[M-H]- 154.08736 140.8
[M+NH4]+ 173.12846 163.6
[M+K]+ 194.05780 149.5
[M+H-H2O]+ 138.09190 135.2
[M+HCOO]- 200.09284 157.3
[M+CH3COO]- 214.10849 179.5
[M+Na-2H]- 176.06931 147.7
[M]+ 155.09409 154.1
[M]- 155.09519 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.