CID 55720

87498-60-0

Structural Information

Molecular Formula
C15H24N2
SMILES
CC(CC1=CC=CC=C1)NN2CCCCCC2
InChI
InChI=1S/C15H24N2/c1-14(13-15-9-5-4-6-10-15)16-17-11-7-2-3-8-12-17/h4-6,9-10,14,16H,2-3,7-8,11-13H2,1H3
InChIKey
HDRDMYCGSLKJNT-UHFFFAOYSA-N
Compound name
N-(1-phenylpropan-2-yl)azepan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.19395 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.20123 154.2
[M+Na]+ 255.18317 154.8
[M-H]- 231.18667 158.8
[M+NH4]+ 250.22777 168.6
[M+K]+ 271.15711 156.2
[M+H-H2O]+ 215.19121 146.1
[M+HCOO]- 277.19215 172.1
[M+CH3COO]- 291.20780 195.4
[M+Na-2H]- 253.16862 157.7
[M]+ 232.19340 145.8
[M]- 232.19450 145.8
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.