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]+ 194.117556 137.1
[M+Na]+ 216.099498 141.5
[M-H]- 192.103004 142.9
[M+NH4]+ 211.144103 154.8
[M+K]+ 232.073438 145.1
[M+H-H2O]+ 176.107540 132.0
[M+HCOO]- 238.108481 157.9
[M+CH3COO]- 252.124131 187.0
[M+Na-2H]- 214.084946 145.6
[M]+ 193.10973142 133.7
[M]- 193.11082858 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.