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

51
Patents

204.16264 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.16992 146.0
[M+Na]+ 227.15186 148.6
[M-H]- 203.15536 150.8
[M+NH4]+ 222.19646 161.6
[M+K]+ 243.12580 149.7
[M+H-H2O]+ 187.15990 138.3
[M+HCOO]- 249.16084 164.8
[M+CH3COO]- 263.17649 156.4
[M+Na-2H]- 225.13731 149.9
[M]+ 204.16209 136.9
[M]- 204.16319 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