CID 18946188

1-benzylazepan-4-amine

Structural Information

Molecular Formula
C13H20N2
SMILES
C1CC(CCN(C1)CC2=CC=CC=C2)N
InChI
InChI=1S/C13H20N2/c14-13-7-4-9-15(10-8-13)11-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11,14H2
InChIKey
AWOBBFYDHSJOIL-UHFFFAOYSA-N
Compound name
1-benzylazepan-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

204.16264 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.169916 146.0
[M+Na]+ 227.151858 148.6
[M-H]- 203.155364 150.8
[M+NH4]+ 222.196463 161.6
[M+K]+ 243.125798 149.7
[M+H-H2O]+ 187.159900 138.3
[M+HCOO]- 249.160841 164.8
[M+CH3COO]- 263.176491 156.4
[M+Na-2H]- 225.137306 149.9
[M]+ 204.16209142 136.9
[M]- 204.16318858 136.9
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

patents stripe