CID 129318714

6-benzoyl-2,3-dihydropyrrolizin-1-one

Structural Information

Molecular Formula
C14H11NO2
SMILES
C1CN2C=C(C=C2C1=O)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C14H11NO2/c16-13-6-7-15-9-11(8-12(13)15)14(17)10-4-2-1-3-5-10/h1-5,8-9H,6-7H2
InChIKey
WHMHELXHHVTMJF-UHFFFAOYSA-N
Compound name
6-benzoyl-2,3-dihydropyrrolizin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.07898 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.08626 149.5
[M+Na]+ 248.06820 158.2
[M-H]- 224.07170 156.4
[M+NH4]+ 243.11280 170.7
[M+K]+ 264.04214 154.6
[M+H-H2O]+ 208.07624 142.9
[M+HCOO]- 270.07718 172.4
[M+CH3COO]- 284.09283 163.0
[M+Na-2H]- 246.05365 151.5
[M]+ 225.07843 149.7
[M]- 225.07953 149.7
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.