CID 13446047

3-(methylamino)-1-benzoxepin-5(2h)-one

Structural Information

Molecular Formula
C11H11NO2
SMILES
CNC1=CC(=O)C2=CC=CC=C2OC1
InChI
InChI=1S/C11H11NO2/c1-12-8-6-10(13)9-4-2-3-5-11(9)14-7-8/h2-6,12H,7H2,1H3
InChIKey
FQJYQXONIGBDNO-UHFFFAOYSA-N
Compound name
3-(methylamino)-2H-1-benzoxepin-5-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

21
Patents

189.07898 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.086256 135.1
[M+Na]+ 212.068198 141.8
[M-H]- 188.071704 141.8
[M+NH4]+ 207.112803 153.3
[M+K]+ 228.042138 144.8
[M+H-H2O]+ 172.076240 130.4
[M+HCOO]- 234.077181 157.5
[M+CH3COO]- 248.092831 186.9
[M+Na-2H]- 210.053646 143.9
[M]+ 189.07843142 132.9
[M]- 189.07952858 132.9
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

patents stripe