CID 41858

1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl(phenyl)methanone

Structural Information

Molecular Formula
C13H15NO2
SMILES
C1C2COCC2CN1C(=O)C3=CC=CC=C3
InChI
InChI=1S/C13H15NO2/c15-13(10-4-2-1-3-5-10)14-6-11-8-16-9-12(11)7-14/h1-5,11-12H,6-9H2
InChIKey
ZSYULWHBPBAOKV-UHFFFAOYSA-N
Compound name
1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl(phenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

717
Patents

217.11028 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.11756 148.7
[M+Na]+ 240.09950 154.8
[M-H]- 216.10300 155.1
[M+NH4]+ 235.14410 168.6
[M+K]+ 256.07344 153.4
[M+H-H2O]+ 200.10754 142.2
[M+HCOO]- 262.10848 167.9
[M+CH3COO]- 276.12413 161.2
[M+Na-2H]- 238.08495 150.6
[M]+ 217.10973 146.4
[M]- 217.11083 146.4
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.