CID 55284444

332011-92-4

Structural Information

Molecular Formula
C5H5NO
SMILES
C1=C[C@@H]2[C@H]1C(=O)N2
InChI
InChI=1S/C5H5NO/c7-5-3-1-2-4(3)6-5/h1-4H,(H,6,7)/t3-,4+/m0/s1
InChIKey
KPCCPWBBOMBLEC-IUYQGCFVSA-N
Compound name
(1R,4S)-2-azabicyclo[2.2.0]hex-5-en-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

95.03712 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 96.044396 117.6
[M+Na]+ 118.02634 120.3
[M+NH4]+ 113.07094 118.5
[M+K]+ 134.00028 119.3
[M-H]- 94.029844 113.1
[M+Na-2H]- 116.01179 117.8
[M]+ 95.036571 114.4
[M]- 95.037669 114.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.