CID 71668557

N-methoxy-7,9-dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine

Structural Information

Molecular Formula
C13H19NO2
SMILES
CC1=CC(=C2C(=C1)C(CCCO2)NOC)C
InChI
InChI=1S/C13H19NO2/c1-9-7-10(2)13-11(8-9)12(14-15-3)5-4-6-16-13/h7-8,12,14H,4-6H2,1-3H3
InChIKey
WVGDYKCYUNBSEO-UHFFFAOYSA-N
Compound name
N-methoxy-7,9-dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.14159 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.14887 149.4
[M+Na]+ 244.13081 159.8
[M+NH4]+ 239.17541 157.5
[M+K]+ 260.10475 154.9
[M-H]- 220.13431 153.6
[M+Na-2H]- 242.11626 154.2
[M]+ 221.14104 152.1
[M]- 221.14214 152.1
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.