CID 166343

Methyl 2-(nonylideneamino)benzoate

Structural Information

Molecular Formula
C17H25NO2
SMILES
CCCCCCCCC=NC1=CC=CC=C1C(=O)OC
InChI
InChI=1S/C17H25NO2/c1-3-4-5-6-7-8-11-14-18-16-13-10-9-12-15(16)17(19)20-2/h9-10,12-14H,3-8,11H2,1-2H3
InChIKey
KRMRLVKJOSLHQF-UHFFFAOYSA-N
Compound name
methyl 2-(nonylideneamino)benzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

275.18854 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.19582 168.8
[M+Na]+ 298.17776 173.7
[M-H]- 274.18126 172.8
[M+NH4]+ 293.22236 185.5
[M+K]+ 314.15170 171.0
[M+H-H2O]+ 258.18580 161.1
[M+HCOO]- 320.18674 193.1
[M+CH3COO]- 334.20239 205.9
[M+Na-2H]- 296.16321 171.5
[M]+ 275.18799 173.9
[M]- 275.18909 173.9
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