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]+ 233.201226 154.2
[M+Na]+ 255.183168 154.8
[M-H]- 231.186674 158.8
[M+NH4]+ 250.227773 168.6
[M+K]+ 271.157108 156.2
[M+H-H2O]+ 215.191210 146.1
[M+HCOO]- 277.192151 172.1
[M+CH3COO]- 291.207801 195.4
[M+Na-2H]- 253.168616 157.7
[M]+ 232.19340142 145.8
[M]- 232.19449858 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.