CID 55719

87498-57-5

Structural Information

Molecular Formula
C14H22N2
SMILES
CC(C1=CC=CC=C1)NN2CCCCCC2
InChI
InChI=1S/C14H22N2/c1-13(14-9-5-4-6-10-14)15-16-11-7-2-3-8-12-16/h4-6,9-10,13,15H,2-3,7-8,11-12H2,1H3
InChIKey
WBYATNMMJDFGFO-UHFFFAOYSA-N
Compound name
N-(1-phenylethyl)azepan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.1783 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.18558 149.9
[M+Na]+ 241.16752 150.9
[M-H]- 217.17102 154.7
[M+NH4]+ 236.21212 164.9
[M+K]+ 257.14146 152.5
[M+H-H2O]+ 201.17556 142.0
[M+HCOO]- 263.17650 168.1
[M+CH3COO]- 277.19215 192.6
[M+Na-2H]- 239.15297 153.9
[M]+ 218.17775 141.1
[M]- 218.17885 141.1
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.