CID 55721

1h-azepin-1-amine, hexahydro-n-(2-phenylethyl)-

Structural Information

Molecular Formula
C14H22N2
SMILES
C1CCCN(CC1)NCCC2=CC=CC=C2
InChI
InChI=1S/C14H22N2/c1-2-7-13-16(12-6-1)15-11-10-14-8-4-3-5-9-14/h3-5,8-9,15H,1-2,6-7,10-13H2
InChIKey
WZBSDHBMXIILLL-UHFFFAOYSA-N
Compound name
N-(2-phenylethyl)azepan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.1783 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.185576 150.1
[M+Na]+ 241.167518 151.3
[M-H]- 217.171024 154.7
[M+NH4]+ 236.212123 165.0
[M+K]+ 257.141458 152.3
[M+H-H2O]+ 201.175560 142.0
[M+HCOO]- 263.176501 169.1
[M+CH3COO]- 277.192151 159.9
[M+Na-2H]- 239.152966 155.1
[M]+ 218.17775142 141.8
[M]- 218.17884858 141.8
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.