CID 155970530

2639456-31-6

Structural Information

Molecular Formula
C8H13N
SMILES
C=CC12CC(C1)CCN2
InChI
InChI=1S/C8H13N/c1-2-8-5-7(6-8)3-4-9-8/h2,7,9H,1,3-6H2
InChIKey
VAKGUGXIKMSISY-UHFFFAOYSA-N
Compound name
1-ethenyl-2-azabicyclo[3.1.1]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

123.1048 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.112076 135.8
[M+Na]+ 146.094018 141.0
[M-H]- 122.097524 132.4
[M+NH4]+ 141.138623 155.7
[M+K]+ 162.067958 140.9
[M+H-H2O]+ 106.102060 127.2
[M+HCOO]- 168.103001 147.5
[M+CH3COO]- 182.118651 146.6
[M+Na-2H]- 144.079466 147.0
[M]+ 123.10425142 143.2
[M]- 123.10534858 143.2
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

No patent data available for this compound.