CID 155970530

1-ethenyl-2-azabicyclo[3.1.1]heptane hydrochloride

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]+ 124.11208 135.8
[M+Na]+ 146.09402 141.0
[M-H]- 122.09752 132.4
[M+NH4]+ 141.13862 155.7
[M+K]+ 162.06796 140.9
[M+H-H2O]+ 106.10206 127.2
[M+HCOO]- 168.10300 147.5
[M+CH3COO]- 182.11865 146.6
[M+Na-2H]- 144.07947 147.0
[M]+ 123.10425 143.2
[M]- 123.10535 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.