CID 4885432

4-(oxolan-2-ylmethoxy)benzamide

Structural Information

Molecular Formula
C12H15NO3
SMILES
C1CC(OC1)COC2=CC=C(C=C2)C(=O)N
InChI
InChI=1S/C12H15NO3/c13-12(14)9-3-5-10(6-4-9)16-8-11-2-1-7-15-11/h3-6,11H,1-2,7-8H2,(H2,13,14)
InChIKey
NBXYEYDZHYVHFD-UHFFFAOYSA-N
Compound name
4-(oxolan-2-ylmethoxy)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

4
Patents

221.1052 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.112476 148.8
[M+Na]+ 244.094418 154.0
[M-H]- 220.097924 155.2
[M+NH4]+ 239.139023 166.5
[M+K]+ 260.068358 153.2
[M+H-H2O]+ 204.102460 142.0
[M+HCOO]- 266.103401 171.0
[M+CH3COO]- 280.119051 188.1
[M+Na-2H]- 242.079866 151.8
[M]+ 221.10465142 147.3
[M]- 221.10574858 147.3
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