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]+ 220.133206 150.5
[M+Na]+ 242.115148 154.6
[M-H]- 218.118654 156.9
[M+NH4]+ 237.159753 168.4
[M+K]+ 258.089088 153.3
[M+H-H2O]+ 202.123190 143.4
[M+HCOO]- 264.124131 172.9
[M+CH3COO]- 278.139781 187.9
[M+Na-2H]- 240.100596 154.6
[M]+ 219.12538142 148.4
[M]- 219.12647858 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

literature stripe

Patent stripe

patents stripe