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]+ 112.112076 132.5
[M+Na]+ 134.094018 140.2
[M-H]- 110.097524 131.9
[M+NH4]+ 129.138623 157.9
[M+K]+ 150.067958 140.1
[M+H-H2O]+ 94.102060 126.3
[M+HCOO]- 156.103001 149.0
[M+CH3COO]- 170.118651 145.5
[M+Na-2H]- 132.079466 141.3
[M]+ 111.10425142 143.0
[M]- 111.10534858 143.0
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