CID 57357361

113502-52-6

Structural Information

Molecular Formula
C14H11NO2
SMILES
C1CN2C(=CC=C2C(=O)C3=CC=CC=C3)C1=O
InChI
InChI=1S/C14H11NO2/c16-13-8-9-15-11(13)6-7-12(15)14(17)10-4-2-1-3-5-10/h1-7H,8-9H2
InChIKey
NFKBMHXYCKRXPQ-UHFFFAOYSA-N
Compound name
5-benzoyl-2,3-dihydropyrrolizin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

225.07898 Da
Monoisotopic Mass

2.1
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

literature stripe

Patent stripe

patents stripe