CID 167728618

Rac-(1r,6r)-7-azabicyclo[4.2.0]oct-4-ene

Structural Information

Molecular Formula
C7H11N
SMILES
C1C[C@@H]2CN[C@@H]2C=C1
InChI
InChI=1S/C7H11N/c1-2-4-7-6(3-1)5-8-7/h2,4,6-8H,1,3,5H2/t6-,7-/m1/s1
InChIKey
SIWDEWAILLSTAR-RNFRBKRXSA-N
Compound name
(1R,6R)-7-azabicyclo[4.2.0]oct-4-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

109.08915 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 110.09643 117.5
[M+Na]+ 132.07837 123.2
[M-H]- 108.08187 118.9
[M+NH4]+ 127.12297 133.0
[M+K]+ 148.05231 124.1
[M+H-H2O]+ 92.086410 107.3
[M+HCOO]- 154.08735 135.5
[M+CH3COO]- 168.10300 169.6
[M+Na-2H]- 130.06382 126.0
[M]+ 109.08860 121.3
[M]- 109.08970 121.3
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.