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]+ 248.16451 157.0
[M+Na]+ 270.14645 159.1
[M-H]- 246.14995 160.7
[M+NH4]+ 265.19105 172.2
[M+K]+ 286.12039 160.0
[M+H-H2O]+ 230.15449 149.7
[M+HCOO]- 292.15543 173.0
[M+CH3COO]- 306.17108 190.4
[M+Na-2H]- 268.13190 160.4
[M]+ 247.15668 149.5
[M]- 247.15778 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.