CID 171921234

233600-25-4

Structural Information

Molecular Formula
C7H9NO
SMILES
C1C[C@H]2[C@H](C=C1)NC2=O
InChI
InChI=1S/C7H9NO/c9-7-5-3-1-2-4-6(5)8-7/h2,4-6H,1,3H2,(H,8,9)/t5-,6-/m0/s1
InChIKey
ZICVDPIJTAJVJA-WDSKDSINSA-N
Compound name
(1S,6S)-7-azabicyclo[4.2.0]oct-4-en-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

123.06841 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.075686 119.7
[M+Na]+ 146.057628 126.3
[M-H]- 122.061134 121.3
[M+NH4]+ 141.102233 134.7
[M+K]+ 162.031568 127.2
[M+H-H2O]+ 106.065670 109.4
[M+HCOO]- 168.066611 137.9
[M+CH3COO]- 182.082261 171.7
[M+Na-2H]- 144.043076 127.4
[M]+ 123.06786142 124.5
[M]- 123.06895858 124.5
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.