CID 121597254

2-(2-phenylethenyl)azepane

Structural Information

Molecular Formula
C14H19N
SMILES
C1CCC(NCC1)C=CC2=CC=CC=C2
InChI
InChI=1S/C14H19N/c1-3-7-13(8-4-1)10-11-14-9-5-2-6-12-15-14/h1,3-4,7-8,10-11,14-15H,2,5-6,9,12H2
InChIKey
DGEGHBUXYDGKJU-UHFFFAOYSA-N
Compound name
2-(2-phenylethenyl)azepane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.15175 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.15903 148.9
[M+Na]+ 224.14097 159.2
[M+NH4]+ 219.18557 157.0
[M+K]+ 240.11491 152.6
[M-H]- 200.14447 152.2
[M+Na-2H]- 222.12642 156.2
[M]+ 201.15120 151.3
[M]- 201.15230 151.3
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.