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 132.5
[M+Na]+ 134.09402 140.2
[M-H]- 110.09752 131.9
[M+NH4]+ 129.13862 157.9
[M+K]+ 150.06796 140.1
[M+H-H2O]+ 94.102060 126.3
[M+HCOO]- 156.10300 149.0
[M+CH3COO]- 170.11865 145.5
[M+Na-2H]- 132.07947 141.3
[M]+ 111.10425 143.0
[M]- 111.10535 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