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 145.7
[M+Na]+ 224.14097 147.7
[M-H]- 200.14447 149.2
[M+NH4]+ 219.18557 161.0
[M+K]+ 240.11491 147.2
[M+H-H2O]+ 184.14901 138.7
[M+HCOO]- 246.14995 162.6
[M+CH3COO]- 260.16560 155.6
[M+Na-2H]- 222.12642 150.0
[M]+ 201.15120 135.6
[M]- 201.15230 135.6
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.