CID 366552

Nsc635174

Structural Information

Molecular Formula
C15H21NO2
SMILES
CCOC(=O)C1(CCCNCC1)C2=CC=CC=C2
InChI
InChI=1S/C15H21NO2/c1-2-18-14(17)15(9-6-11-16-12-10-15)13-7-4-3-5-8-13/h3-5,7-8,16H,2,6,9-12H2,1H3
InChIKey
VUAIRCAKYUJYJY-UHFFFAOYSA-N
Compound name
ethyl 4-phenylazepane-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

247.15723 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.164506 157.0
[M+Na]+ 270.146448 159.1
[M-H]- 246.149954 160.7
[M+NH4]+ 265.191053 172.2
[M+K]+ 286.120388 160.0
[M+H-H2O]+ 230.154490 149.7
[M+HCOO]- 292.155431 173.0
[M+CH3COO]- 306.171081 190.4
[M+Na-2H]- 268.131896 160.4
[M]+ 247.15668142 149.5
[M]- 247.15777858 149.5
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.