CID 166378

Hexyl 2-(ethylideneamino)benzoate

Structural Information

Molecular Formula
C15H21NO2
SMILES
CCCCCCOC(=O)C1=CC=CC=C1N=CC
InChI
InChI=1S/C15H21NO2/c1-3-5-6-9-12-18-15(17)13-10-7-8-11-14(13)16-4-2/h4,7-8,10-11H,3,5-6,9,12H2,1-2H3
InChIKey
SLZBWFCFGYFQBU-UHFFFAOYSA-N
Compound name
hexyl 2-(ethylideneamino)benzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

247.15723 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.164506 159.6
[M+Na]+ 270.146448 165.3
[M-H]- 246.149954 163.9
[M+NH4]+ 265.191053 177.4
[M+K]+ 286.120388 163.1
[M+H-H2O]+ 230.154490 152.2
[M+HCOO]- 292.155431 184.5
[M+CH3COO]- 306.171081 199.9
[M+Na-2H]- 268.131896 163.4
[M]+ 247.15668142 163.9
[M]- 247.15777858 163.9
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

patents stripe