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]+ 248.16451 159.6
[M+Na]+ 270.14645 165.3
[M-H]- 246.14995 163.9
[M+NH4]+ 265.19105 177.4
[M+K]+ 286.12039 163.1
[M+H-H2O]+ 230.15449 152.2
[M+HCOO]- 292.15543 184.5
[M+CH3COO]- 306.17108 199.9
[M+Na-2H]- 268.13190 163.4
[M]+ 247.15668 163.9
[M]- 247.15778 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