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
1
Annotation Hits

0
References

16
Patents

189.07898 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.08626 135.1
[M+Na]+ 212.06820 141.8
[M-H]- 188.07170 141.8
[M+NH4]+ 207.11280 153.3
[M+K]+ 228.04214 144.8
[M+H-H2O]+ 172.07624 130.4
[M+HCOO]- 234.07718 157.5
[M+CH3COO]- 248.09283 186.9
[M+Na-2H]- 210.05365 143.9
[M]+ 189.07843 132.9
[M]- 189.07953 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