CID 129318714

2518343-81-0

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]+ 226.086256 149.5
[M+Na]+ 248.068198 158.2
[M-H]- 224.071704 156.4
[M+NH4]+ 243.112803 170.7
[M+K]+ 264.042138 154.6
[M+H-H2O]+ 208.076240 142.9
[M+HCOO]- 270.077181 172.4
[M+CH3COO]- 284.092831 163.0
[M+Na-2H]- 246.053646 151.5
[M]+ 225.07843142 149.7
[M]- 225.07952858 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.