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]+ 218.19032 149.5
[M+Na]+ 240.17226 150.9
[M-H]- 216.17576 154.1
[M+NH4]+ 235.21686 164.8
[M+K]+ 256.14620 152.0
[M+H-H2O]+ 200.18030 142.1
[M+HCOO]- 262.18124 166.4
[M+CH3COO]- 276.19689 191.0
[M+Na-2H]- 238.15771 152.6
[M]+ 217.18249 141.7
[M]- 217.18359 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.