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]+ 202.08626 143.7
[M+Na]+ 224.06820 155.7
[M-H]- 200.07170 153.4
[M+NH4]+ 219.11280 159.8
[M+K]+ 240.04214 153.7
[M+H-H2O]+ 184.07624 137.4
[M+HCOO]- 246.07718 166.3
[M+CH3COO]- 260.09283 158.0
[M+Na-2H]- 222.05365 150.4
[M]+ 201.07843 147.7
[M]- 201.07953 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.