CID 531986

N-(oxolan-2-ylmethyl)-2-phenylacetamide

Structural Information

Molecular Formula
C13H17NO2
SMILES
C1CC(OC1)CNC(=O)CC2=CC=CC=C2
InChI
InChI=1S/C13H17NO2/c15-13(9-11-5-2-1-3-6-11)14-10-12-7-4-8-16-12/h1-3,5-6,12H,4,7-10H2,(H,14,15)
InChIKey
GLRRFYMIFNCWSD-UHFFFAOYSA-N
Compound name
N-(oxolan-2-ylmethyl)-2-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

1
Patents

219.12593 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.13321 150.5
[M+Na]+ 242.11515 154.6
[M-H]- 218.11865 156.9
[M+NH4]+ 237.15975 168.4
[M+K]+ 258.08909 153.3
[M+H-H2O]+ 202.12319 143.4
[M+HCOO]- 264.12413 172.9
[M+CH3COO]- 278.13978 187.9
[M+Na-2H]- 240.10060 154.6
[M]+ 219.12538 148.4
[M]- 219.12648 148.4
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.