CID 504605

(2r)-6-methyl-2-phenyl-5-oxa-7-azaspiro[2.4]hept-6-en-4-one

Structural Information

Molecular Formula
C12H11NO2
SMILES
CC1=NC2(C[C@@H]2C3=CC=CC=C3)C(=O)O1
InChI
InChI=1S/C12H11NO2/c1-8-13-12(11(14)15-8)7-10(12)9-5-3-2-4-6-9/h2-6,10H,7H2,1H3/t10-,12?/m1/s1
InChIKey
ZIURZJWQKNUVHY-RWANSRKNSA-N
Compound name
(2R)-5-methyl-2-phenyl-6-oxa-4-azaspiro[2.4]hept-4-en-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.07898 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.086256 143.7
[M+Na]+ 224.068198 155.7
[M-H]- 200.071704 153.4
[M+NH4]+ 219.112803 159.8
[M+K]+ 240.042138 153.7
[M+H-H2O]+ 184.076240 137.4
[M+HCOO]- 246.077181 166.3
[M+CH3COO]- 260.092831 158.0
[M+Na-2H]- 222.053646 150.4
[M]+ 201.07843142 147.7
[M]- 201.07952858 147.7
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.