CID 71756271

N-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-amine

Structural Information

Molecular Formula
C11H15NO2
SMILES
CONC1CCCOC2=CC=CC=C12
InChI
InChI=1S/C11H15NO2/c1-13-12-10-6-4-8-14-11-7-3-2-5-9(10)11/h2-3,5,7,10,12H,4,6,8H2,1H3
InChIKey
XKGRWFMQDBHYOC-UHFFFAOYSA-N
Compound name
N-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.11028 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.11756 137.1
[M+Na]+ 216.09950 141.5
[M-H]- 192.10300 142.9
[M+NH4]+ 211.14410 154.8
[M+K]+ 232.07344 145.1
[M+H-H2O]+ 176.10754 132.0
[M+HCOO]- 238.10848 157.9
[M+CH3COO]- 252.12413 187.0
[M+Na-2H]- 214.08495 145.6
[M]+ 193.10973 133.7
[M]- 193.11083 133.7
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.