CID 57357558

5-benzoyl-2,3-dihydro-1h-pyrrolizin-1-ol

Structural Information

Molecular Formula
C14H13NO2
SMILES
C1CN2C(=CC=C2C(=O)C3=CC=CC=C3)C1O
InChI
InChI=1S/C14H13NO2/c16-13-8-9-15-11(13)6-7-12(15)14(17)10-4-2-1-3-5-10/h1-7,13,16H,8-9H2
InChIKey
PPQHNULBCSHICE-UHFFFAOYSA-N
Compound name
(7-hydroxy-6,7-dihydro-5H-pyrrolizin-3-yl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

227.09464 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.10192 150.6
[M+Na]+ 250.08386 158.7
[M-H]- 226.08736 156.2
[M+NH4]+ 245.12846 171.1
[M+K]+ 266.05780 154.8
[M+H-H2O]+ 210.09190 144.2
[M+HCOO]- 272.09284 171.8
[M+CH3COO]- 286.10849 163.4
[M+Na-2H]- 248.06931 152.3
[M]+ 227.09409 149.7
[M]- 227.09519 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