CID 2309930

N-(3-methoxyphenyl)-3,4,5,6-tetrahydro-2h-azepin-7-amine

Structural Information

Molecular Formula
C13H18N2O
SMILES
COC1=CC=CC(=C1)NC2=NCCCCC2
InChI
InChI=1S/C13H18N2O/c1-16-12-7-5-6-11(10-12)15-13-8-3-2-4-9-14-13/h5-7,10H,2-4,8-9H2,1H3,(H,14,15)
InChIKey
ASLXWGDYFXXKLG-UHFFFAOYSA-N
Compound name
N-(3-methoxyphenyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

218.1419 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.14918 150.3
[M+Na]+ 241.13112 160.8
[M+NH4]+ 236.17572 158.1
[M+K]+ 257.10506 155.1
[M-H]- 217.13462 154.3
[M+Na-2H]- 239.11657 158.5
[M]+ 218.14135 152.9
[M]- 218.14245 152.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.