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]+ 219.149176 147.9
[M+Na]+ 241.131118 151.5
[M-H]- 217.134624 153.6
[M+NH4]+ 236.175723 163.4
[M+K]+ 257.105058 153.5
[M+H-H2O]+ 201.139160 140.2
[M+HCOO]- 263.140101 169.0
[M+CH3COO]- 277.155751 190.9
[M+Na-2H]- 239.116566 153.8
[M]+ 218.14135142 142.4
[M]- 218.14244858 142.4
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.