CID 132606439

(3r)-3-phenyl-1,4-oxazepan-5-one

Structural Information

Molecular Formula
C11H13NO2
SMILES
C1COC[C@H](NC1=O)C2=CC=CC=C2
InChI
InChI=1S/C11H13NO2/c13-11-6-7-14-8-10(12-11)9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,12,13)/t10-/m0/s1
InChIKey
DLWBKGOFJVPEAQ-JTQLQIEISA-N
Compound name
(3R)-3-phenyl-1,4-oxazepan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.09464 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.10192 138.0
[M+Na]+ 214.08386 141.9
[M-H]- 190.08736 142.9
[M+NH4]+ 209.12846 152.6
[M+K]+ 230.05780 144.3
[M+H-H2O]+ 174.09190 131.2
[M+HCOO]- 236.09284 155.4
[M+CH3COO]- 250.10849 149.3
[M+Na-2H]- 212.06931 143.9
[M]+ 191.09409 130.6
[M]- 191.09519 130.6
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.