CID 164153881

1,4-dimethyl-2-azabicyclo[2.1.1]hexane

Structural Information

Molecular Formula
C7H13N
SMILES
CC12CC(C1)(NC2)C
InChI
InChI=1S/C7H13N/c1-6-3-7(2,4-6)8-5-6/h8H,3-5H2,1-2H3
InChIKey
ZGZRMQDHVGCERE-UHFFFAOYSA-N
Compound name
1,4-dimethyl-2-azabicyclo[2.1.1]hexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

111.1048 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.11208 119.0
[M+Na]+ 134.09402 123.1
[M+NH4]+ 129.13862 128.3
[M+K]+ 150.06796 119.4
[M-H]- 110.09752 114.3
[M+Na-2H]- 132.07947 118.8
[M]+ 111.10425 117.2
[M]- 111.10535 117.2
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