CID 389729

Nsc686321

Structural Information

Molecular Formula
C13H11NO
SMILES
C1C(N2C=CC=C2C1=O)C3=CC=CC=C3
InChI
InChI=1S/C13H11NO/c15-13-9-12(10-5-2-1-3-6-10)14-8-4-7-11(13)14/h1-8,12H,9H2
InChIKey
SORGYBPGEGZLST-UHFFFAOYSA-N
Compound name
3-phenyl-2,3-dihydropyrrolizin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.08406 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.09134 142.0
[M+Na]+ 220.07328 151.5
[M-H]- 196.07678 149.0
[M+NH4]+ 215.11788 164.7
[M+K]+ 236.04722 147.7
[M+H-H2O]+ 180.08132 135.5
[M+HCOO]- 242.08226 166.0
[M+CH3COO]- 256.09791 156.3
[M+Na-2H]- 218.05873 145.8
[M]+ 197.08351 141.8
[M]- 197.08461 141.8
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.