CID 213969

27431-98-7

Structural Information

Molecular Formula
C15H23N
SMILES
CC(CC1=CC=CC=C1)N2CCCCCC2
InChI
InChI=1S/C15H23N/c1-14(13-15-9-5-4-6-10-15)16-11-7-2-3-8-12-16/h4-6,9-10,14H,2-3,7-8,11-13H2,1H3
InChIKey
LCOUPJNNRSWTCR-UHFFFAOYSA-N
Compound name
1-(1-phenylpropan-2-yl)azepane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.18304 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.190316 149.5
[M+Na]+ 240.172258 150.9
[M-H]- 216.175764 154.1
[M+NH4]+ 235.216863 164.8
[M+K]+ 256.146198 152.0
[M+H-H2O]+ 200.180300 142.1
[M+HCOO]- 262.181241 166.4
[M+CH3COO]- 276.196891 191.0
[M+Na-2H]- 238.157706 152.6
[M]+ 217.18249142 141.7
[M]- 217.18358858 141.7
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.