CID 11788264

1-methyl-2-azabicyclo[2.1.1]hexane

Structural Information

Molecular Formula
C6H11N
SMILES
CC12CC(C1)CN2
InChI
InChI=1S/C6H11N/c1-6-2-5(3-6)4-7-6/h5,7H,2-4H2,1H3
InChIKey
MXWAUZMHERJQJE-UHFFFAOYSA-N
Compound name
1-methyl-2-azabicyclo[2.1.1]hexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

97.08915 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 98.096426 125.5
[M+Na]+ 120.07837 132.5
[M-H]- 96.081874 124.6
[M+NH4]+ 115.12297 149.5
[M+K]+ 136.05231 133.2
[M+H-H2O]+ 80.086410 118.7
[M+HCOO]- 142.08735 142.4
[M+CH3COO]- 156.10300 138.7
[M+Na-2H]- 118.06382 134.1
[M]+ 97.088601 135.4
[M]- 97.089699 135.4
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

patents stripe